(1S)-5-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C19H31N3O — CID 129403405

IUPAC(1S)-5-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cccc2c1CCC[C@@H]2NC[C@@H](C)N1CCN(C)CC1
InChIInChI=1S/C19H31N3O/c1-15(22-12-10-21(2)11-13-22)14-20-18-8-4-7-17-16(18)6-5-9-19(17)23-3/h5-6,9,15,18,20H,4,7-8,10-14H2,1-3H3/t15-,18+/m1/s1
InChIKeyCMRBIFUJNTUGED-QAPCUYQASA-N
MW317.48 g/mol
LogP2.30
Rot. Bonds5

About (1S)-5-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-5-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 129403405) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is (1S)-5-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-5-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID129403405
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name(1S)-5-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cccc2c1CCC[C@@H]2NC[C@@H](C)N1CCN(C)CC1
InChIInChI=1S/C19H31N3O/c1-15(22-12-10-21(2)11-13-22)14-20-18-8-4-7-17-16(18)6-5-9-19(17)23-3/h5-6,9,15,18,20H,4,7-8,10-14H2,1-3H3/t15-,18+/m1/s1
InChIKeyCMRBIFUJNTUGED-QAPCUYQASA-N
XLogP2.30
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-5-methoxy-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 129403404
N-(2-piperidin-1-ylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 61009603
N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 51003104
N'-(3,5-dimethoxyphenyl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 166232672
N-cyclopropyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83910112
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 118720492
1-N-(2-piperidin-1-ylpropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79730901
3-chloro-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 10611920
1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine
CID 10774628
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 10764762
[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10535755

Frequently Asked Questions

What is the IUPAC name of (1S)-5-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-5-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 129403405) is (1S)-5-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-5-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-5-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1cccc2c1CCC[C@@H]2NC[C@@H](C)N1CCN(C)CC1.
What is the InChIKey of (1S)-5-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is CMRBIFUJNTUGED-QAPCUYQASA-N. The full InChI is InChI=1S/C19H31N3O/c1-15(22-12-10-21(2)11-13-22)14-20-18-8-4-7-17-16(18)6-5-9-19(17)23-3/h5-6,9,15,18,20H,4,7-8,10-14H2,1-3H3/t15-,18+/m1/s1.
What are the key properties of (1S)-5-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-5-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 317.48 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-methoxy-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 129403405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).