N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine

C17H27NO — CID 81370708

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine
SMILESCOc1ccc([C@@H](C)NC2CCCC(C)CC2)cc1
InChIInChI=1S/C17H27NO/c1-13-5-4-6-16(10-7-13)18-14(2)15-8-11-17(19-3)12-9-15/h8-9,11-14,16,18H,4-7,10H2,1-3H3/t13?,14-,16?/m1/s1
InChIKeyDNPSONUAXKZGLP-NPCAHTBFSA-N
MW261.41 g/mol
LogP4.31
Rot. Bonds4

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine

N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine (PubChem CID 81370708) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine
PubChem CID81370708
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine
SMILESCOc1ccc([C@@H](C)NC2CCCC(C)CC2)cc1
InChIInChI=1S/C17H27NO/c1-13-5-4-6-16(10-7-13)18-14(2)15-8-11-17(19-3)12-9-15/h8-9,11-14,16,18H,4-7,10H2,1-3H3/t13?,14-,16?/m1/s1
InChIKeyDNPSONUAXKZGLP-NPCAHTBFSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950
4-N-[1-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
CID 55062721
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428628
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine
CID 65079966
3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066346
3-ethyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81371165
N-[(1R)-1-(4-methoxyphenyl)ethyl]thian-4-amine
CID 81370902
N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 81370566
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]cyclopentan-1-amine
CID 62086759
N-[1-(4-bromophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43080674
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 81370541

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine (CID 81370708) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine is COc1ccc([C@@H](C)NC2CCCC(C)CC2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine?
The InChIKey is DNPSONUAXKZGLP-NPCAHTBFSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-5-4-6-16(10-7-13)18-14(2)15-8-11-17(19-3)12-9-15/h8-9,11-14,16,18H,4-7,10H2,1-3H3/t13?,14-,16?/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylcycloheptan-1-amine is sourced from PubChem (CID 81370708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).