N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine

C18H29NO2 — CID 62594582

IUPACN-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine
SMILESCOc1ccc(C2(CNC(C)C)CCCCC2)cc1OC
InChIInChI=1S/C18H29NO2/c1-14(2)19-13-18(10-6-5-7-11-18)15-8-9-16(20-3)17(12-15)21-4/h8-9,12,14,19H,5-7,10-11,13H2,1-4H3
InChIKeySKDTUWUXASJSMV-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.90
Rot. Bonds6

About N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine

N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 62594582) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine
PubChem CID62594582
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine
SMILESCOc1ccc(C2(CNC(C)C)CCCCC2)cc1OC
InChIInChI=1S/C18H29NO2/c1-14(2)19-13-18(10-6-5-7-11-18)15-8-9-16(20-3)17(12-15)21-4/h8-9,12,14,19H,5-7,10-11,13H2,1-4H3
InChIKeySKDTUWUXASJSMV-UHFFFAOYSA-N
XLogP3.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine
CID 112519339
N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine
CID 63511609
N-[[4-(3-methoxy-4-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62596439
[1-(3,4-dimethoxyphenyl)cyclopentyl]methanol
CID 13128207
N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide
CID 27262045
2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride
CID 119325911
3-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1,1,2-trimethylguanidine
CID 111580985
N-[[1-(4-bromophenyl)cyclohexyl]methyl]propan-2-amine
CID 55196888
N-[(1-phenylcyclohexyl)methyl]propan-2-amine
CID 62596577
methyl 3-[[N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-N'-methylcarbamimidoyl]amino]-2-methylpropanoate
CID 111580877
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]benzenesulfonamide
CID 1114580
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]thiophene-2-sulfonamide
CID 110416686

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine (CID 62594582) is N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine is COc1ccc(C2(CNC(C)C)CCCCC2)cc1OC.
What is the InChIKey of N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is SKDTUWUXASJSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)19-13-18(10-6-5-7-11-18)15-8-9-16(20-3)17(12-15)21-4/h8-9,12,14,19H,5-7,10-11,13H2,1-4H3.
What are the key properties of N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine?
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 62594582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).