(trans)-(1-Cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine

C18H27NO — CID 10038966

IUPAC(1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN[C@@H]1CCC2=C([C@H]1CC3CC3)C(=CC=C2)OC
InChIInChI=1S/C18H27NO/c1-3-11-19-16-10-9-14-5-4-6-17(20-2)18(14)15(16)12-13-7-8-13/h4-6,13,15-16,19H,3,7-12H2,1-2H3/t15-,16+/m0/s1
InChIKeyFGJAWRMTLRQIGI-JKSUJKDBSA-N
MW273.40 g/mol
LogP4.30
Rot. Bonds6

About (trans)-(1-Cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine

(trans)-(1-Cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine (PubChem CID 10038966) has the molecular formula C18H27NO and a molecular weight of 273.40 g/mol. Its IUPAC name is (1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(trans)-(1-Cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine
PubChem CID10038966
Molecular FormulaC18H27NO
Molecular Weight273.40 g/mol
Exact Mass273.21
IUPAC Name(1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN[C@@H]1CCC2=C([C@H]1CC3CC3)C(=CC=C2)OC
InChIInChI=1S/C18H27NO/c1-3-11-19-16-10-9-14-5-4-6-17(20-2)18(14)15(16)12-13-7-8-13/h4-6,13,15-16,19H,3,7-12H2,1-2H3/t15-,16+/m0/s1
InChIKeyFGJAWRMTLRQIGI-JKSUJKDBSA-N
XLogP4.30
TPSA21.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity302

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (trans)-(1-Cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine with MolForge

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Related Compounds

AJ 76
CID 122334
8-Methoxy-2-aminotetralin
CID 10197933
Ent-3-methoxymorphinan
CID 6603912
UH 232
CID 123696
2-Amino-5-methoxytetralin
CID 11469395
2-Acetamido-8-methoxytetralin
CID 3018920
(1S,2R)-5-methoxy-1-methyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 6604756
4-Cyclohexyl-1-[N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-aminoethyl]piperidine
CID 44598190
8-Methoxy-2-propionamidotetralin
CID 5170952
2-chloro-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 9859837
(3aR,9bS)-3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10105844
9-Methoxy-3-propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10332127

Frequently Asked Questions

What is the IUPAC name of (trans)-(1-Cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine?
The IUPAC name of (trans)-(1-Cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine (CID 10038966) is (1R,2R)-1-(cyclopropylmethyl)-8-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (trans)-(1-Cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine?
The canonical SMILES for (trans)-(1-Cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine is CCCN[C@@H]1CCC2=C([C@H]1CC3CC3)C(=CC=C2)OC.
What is the InChIKey of (trans)-(1-Cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine?
The InChIKey is FGJAWRMTLRQIGI-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-11-19-16-10-9-14-5-4-6-17(20-2)18(14)15(16)12-13-7-8-13/h4-6,13,15-16,19H,3,7-12H2,1-2H3/t15-,16+/m0/s1.
What are the key properties of (trans)-(1-Cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine?
(trans)-(1-Cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine has a molecular weight of 273.40 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (trans)-(1-Cyclopropylmethyl-8-methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amine is sourced from PubChem (CID 10038966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).