2-[3-chloropropyl(propyl)amino]-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde

C18H26ClNO2 — CID 56633065

IUPAC2-[3-chloropropyl(propyl)amino]-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
SMILESCCCN(CCCCl)C1CCc2c(OC)cccc2C1C=O
InChIInChI=1S/C18H26ClNO2/c1-3-11-20(12-5-10-19)17-9-8-15-14(16(17)13-21)6-4-7-18(15)22-2/h4,6-7,13,16-17H,3,5,8-12H2,1-2H3
InChIKeyRIBMBICRGHXVID-UHFFFAOYSA-N
MW323.86 g/mol
LogP3.63
Rot. Bonds8

About 2-[3-chloropropyl(propyl)amino]-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde

2-[3-chloropropyl(propyl)amino]-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde (PubChem CID 56633065) has the molecular formula C18H26ClNO2 and a molecular weight of 323.86 g/mol. Its IUPAC name is 2-[3-chloropropyl(propyl)amino]-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-[3-chloropropyl(propyl)amino]-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
PubChem CID56633065
Molecular FormulaC18H26ClNO2
Molecular Weight323.86 g/mol
Exact Mass323.17
IUPAC Name2-[3-chloropropyl(propyl)amino]-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
SMILESCCCN(CCCCl)C1CCc2c(OC)cccc2C1C=O
InChIInChI=1S/C18H26ClNO2/c1-3-11-20(12-5-10-19)17-9-8-15-14(16(17)13-21)6-4-7-18(15)22-2/h4,6-7,13,16-17H,3,5,8-12H2,1-2H3
InChIKeyRIBMBICRGHXVID-UHFFFAOYSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-5-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 67822611
(1S,2R)-N-(cyclopropylmethyl)-5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 18652062
[6-(dipropylamino)-5-methyl-5,6,7,8-tetrahydronaphthalen-1-yl] acetate
CID 56999318
(1R,2S)-8-methoxy-1-prop-2-enyl-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 57286470
5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid
CID 90668689
(2R)-5-methoxy-1,1-dimethyl-N,N-dipropyl-3,4-dihydro-2H-naphthalen-2-amine
CID 125486671
5-chloro-8-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15268493
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
1-bromo-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19379897
N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 19761690
(2S)-5-(2-methoxyphenyl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 11187960
[(1S,2R)-5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-propylazanium
CID 56927818

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloropropyl(propyl)amino]-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The IUPAC name of 2-[3-chloropropyl(propyl)amino]-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde (CID 56633065) is 2-[3-chloropropyl(propyl)amino]-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde.
What is the SMILES notation for 2-[3-chloropropyl(propyl)amino]-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The canonical SMILES for 2-[3-chloropropyl(propyl)amino]-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde is CCCN(CCCCl)C1CCc2c(OC)cccc2C1C=O.
What is the InChIKey of 2-[3-chloropropyl(propyl)amino]-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The InChIKey is RIBMBICRGHXVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO2/c1-3-11-20(12-5-10-19)17-9-8-15-14(16(17)13-21)6-4-7-18(15)22-2/h4,6-7,13,16-17H,3,5,8-12H2,1-2H3.
What are the key properties of 2-[3-chloropropyl(propyl)amino]-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
2-[3-chloropropyl(propyl)amino]-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde has a molecular weight of 323.86 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloropropyl(propyl)amino]-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 56633065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).