9-(1-chloro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-amine

C20H32ClNO — CID 91219902

IUPAC9-(1-chloro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-amine
SMILESCOc1ccc2c(c1)CCC(CCCCCCCCCN)C2Cl
InChIInChI=1S/C20H32ClNO/c1-23-18-12-13-19-17(15-18)11-10-16(20(19)21)9-7-5-3-2-4-6-8-14-22/h12-13,15-16,20H,2-11,14,22H2,1H3
InChIKeyHXMQMZZMLDREIQ-UHFFFAOYSA-N
MW337.94 g/mol
LogP5.62
Rot. Bonds10

About 9-(1-chloro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-amine

9-(1-chloro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-amine (PubChem CID 91219902) has the molecular formula C20H32ClNO and a molecular weight of 337.94 g/mol. Its IUPAC name is 9-(1-chloro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-amine.

Molecular Properties

Compound Name9-(1-chloro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-amine
PubChem CID91219902
Molecular FormulaC20H32ClNO
Molecular Weight337.94 g/mol
Exact Mass337.22
IUPAC Name9-(1-chloro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-amine
SMILESCOc1ccc2c(c1)CCC(CCCCCCCCCN)C2Cl
InChIInChI=1S/C20H32ClNO/c1-23-18-12-13-19-17(15-18)11-10-16(20(19)21)9-7-5-3-2-4-6-8-14-22/h12-13,15-16,20H,2-11,14,22H2,1H3
InChIKeyHXMQMZZMLDREIQ-UHFFFAOYSA-N
XLogP5.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.94
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(8R,9S,13S,14S,15R)-15-(3-aminopropyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 67523059
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371
2-[(2-bromo-5-methoxyphenyl)methyl]-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 65327001
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
methyl 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)butanoate
CID 23529443
6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline
CID 106778477
[1-(ethylamino)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 64812391
N'-(2,4-dimethoxyphenyl)butane-1,4-diamine
CID 82114957
(1S)-5-methoxy-2,3-dihydro-1H-indene-1-carbonitrile
CID 86319053
2-bromo-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 13275748
(1R)-1-(3-bromopropyl)-6-methoxy-1,2,3,4-tetrahydronaphthalene
CID 129410305
(1-cyclopentyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 115057908

Frequently Asked Questions

What is the IUPAC name of 9-(1-chloro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-amine?
The IUPAC name of 9-(1-chloro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-amine (CID 91219902) is 9-(1-chloro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-amine.
What is the SMILES notation for 9-(1-chloro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-amine?
The canonical SMILES for 9-(1-chloro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-amine is COc1ccc2c(c1)CCC(CCCCCCCCCN)C2Cl.
What is the InChIKey of 9-(1-chloro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-amine?
The InChIKey is HXMQMZZMLDREIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32ClNO/c1-23-18-12-13-19-17(15-18)11-10-16(20(19)21)9-7-5-3-2-4-6-8-14-22/h12-13,15-16,20H,2-11,14,22H2,1H3.
What are the key properties of 9-(1-chloro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-amine?
9-(1-chloro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-amine has a molecular weight of 337.94 g/mol, XLogP of 5.62, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-chloro-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)nonan-1-amine is sourced from PubChem (CID 91219902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).