cis-(1R,2R)-2-(3-methoxyphenyl)-N,N-dipropylcyclohexan-1-amine

C19H31NO — CID 10469444

IUPACcis-(1R,2R)-2-(3-methoxyphenyl)-N,N-dipropylcyclohexan-1-amine
SMILESCCCN(CCC)[C@@H]1CCCC[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C19H31NO/c1-4-13-20(14-5-2)19-12-7-6-11-18(19)16-9-8-10-17(15-16)21-3/h8-10,15,18-19H,4-7,11-14H2,1-3H3/t18-,19-/m1/s1
InChIKeyXDYOEMMJCPQPPC-RTBURBONSA-N
MW289.46 g/mol
LogP4.84
Rot. Bonds7

About cis-(1R,2R)-2-(3-methoxyphenyl)-N,N-dipropylcyclohexan-1-amine

cis-(1R,2R)-2-(3-methoxyphenyl)-N,N-dipropylcyclohexan-1-amine (PubChem CID 10469444) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is cis-(1R,2R)-2-(3-methoxyphenyl)-N,N-dipropylcyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-2-(3-methoxyphenyl)-N,N-dipropylcyclohexan-1-amine
PubChem CID10469444
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Namecis-(1R,2R)-2-(3-methoxyphenyl)-N,N-dipropylcyclohexan-1-amine
SMILESCCCN(CCC)[C@@H]1CCCC[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C19H31NO/c1-4-13-20(14-5-2)19-12-7-6-11-18(19)16-9-8-10-17(15-16)21-3/h8-10,15,18-19H,4-7,11-14H2,1-3H3/t18-,19-/m1/s1
InChIKeyXDYOEMMJCPQPPC-RTBURBONSA-N
XLogP4.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methoxy-N-[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]-2-phenyl-N-propylacetamide
CID 10430814
[2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 10443420
1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride
CID 22883942
2-(3-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 62603851
N-ethyl-2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62604232
2-(3-methoxyphenyl)cyclopentan-1-amine
CID 62605139
[2-(3-methoxyphenyl)cyclohexyl]hydrazine
CID 53402469
1-[2-(3-methoxyphenyl)cycloheptyl]-N-methylmethanamine
CID 81026200
[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]methanamine;N-methylmethanamine
CID 69422945
1-[(1S,2S)-2-butylcyclopropyl]-3-methoxybenzene
CID 102003898
2-(3-methoxyphenyl)-N-(2-phenylethyl)cyclohexan-1-amine
CID 21260489
trans-(1S,2R)-2-(3-butoxyphenyl)cyclohexan-1-ol
CID 57202652

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(3-methoxyphenyl)-N,N-dipropylcyclohexan-1-amine?
The IUPAC name of cis-(1R,2R)-2-(3-methoxyphenyl)-N,N-dipropylcyclohexan-1-amine (CID 10469444) is cis-(1R,2R)-2-(3-methoxyphenyl)-N,N-dipropylcyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2R)-2-(3-methoxyphenyl)-N,N-dipropylcyclohexan-1-amine?
The canonical SMILES for cis-(1R,2R)-2-(3-methoxyphenyl)-N,N-dipropylcyclohexan-1-amine is CCCN(CCC)[C@@H]1CCCC[C@@H]1c1cccc(OC)c1.
What is the InChIKey of cis-(1R,2R)-2-(3-methoxyphenyl)-N,N-dipropylcyclohexan-1-amine?
The InChIKey is XDYOEMMJCPQPPC-RTBURBONSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-13-20(14-5-2)19-12-7-6-11-18(19)16-9-8-10-17(15-16)21-3/h8-10,15,18-19H,4-7,11-14H2,1-3H3/t18-,19-/m1/s1.
What are the key properties of cis-(1R,2R)-2-(3-methoxyphenyl)-N,N-dipropylcyclohexan-1-amine?
cis-(1R,2R)-2-(3-methoxyphenyl)-N,N-dipropylcyclohexan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(3-methoxyphenyl)-N,N-dipropylcyclohexan-1-amine is sourced from PubChem (CID 10469444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).