N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine

C18H29NO — CID 65079928

IUPACN-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine
SMILESCOc1ccccc1CC(C)NC1CCCC(C)CC1
InChIInChI=1S/C18H29NO/c1-14-7-6-9-17(12-11-14)19-15(2)13-16-8-4-5-10-18(16)20-3/h4-5,8,10,14-15,17,19H,6-7,9,11-13H2,1-3H3
InChIKeyZPELUSVTJWAJRQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.18
Rot. Bonds5

About N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine

N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine (PubChem CID 65079928) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine
PubChem CID65079928
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine
SMILESCOc1ccccc1CC(C)NC1CCCC(C)CC1
InChIInChI=1S/C18H29NO/c1-14-7-6-9-17(12-11-14)19-15(2)13-16-8-4-5-10-18(16)20-3/h4-5,8,10,14-15,17,19H,6-7,9,11-13H2,1-3H3
InChIKeyZPELUSVTJWAJRQ-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methoxyphenyl)propan-2-yl]-3-methylcyclopentan-1-amine
CID 64501539
4-ethyl-N-[1-(2-methoxyphenyl)propan-2-yl]cycloheptan-1-amine
CID 65083104
N-[1-(2-methoxyphenyl)propan-2-yl]-2,3-dihydro-1H-inden-2-amine
CID 60935059
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine
CID 43677397
(3R)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]-1,1-dioxothiolan-3-amine
CID 93318970
1-cyclobutyl-N-[1-(2-methoxyphenyl)propan-2-yl]propan-2-amine
CID 115710215
N-[1-(2-methoxyphenyl)propan-2-yl]-2,2-dimethylcyclopentan-1-amine
CID 79859791
4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine
CID 65081242
N-[1-(furan-2-yl)propan-2-yl]-4-methylcycloheptan-1-amine
CID 65081351
cyclopentyl-[(3S)-3-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
CID 97323731
cyclopentyl-[(3S)-3-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]pyrrolidin-1-yl]methanone
CID 97323732
2-methoxy-6-[[(4-methylcycloheptyl)amino]methyl]phenol
CID 102795067

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine (CID 65079928) is N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine is COc1ccccc1CC(C)NC1CCCC(C)CC1.
What is the InChIKey of N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine?
The InChIKey is ZPELUSVTJWAJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14-7-6-9-17(12-11-14)19-15(2)13-16-8-4-5-10-18(16)20-3/h4-5,8,10,14-15,17,19H,6-7,9,11-13H2,1-3H3.
What are the key properties of N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine?
N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)propan-2-yl]-4-methylcycloheptan-1-amine is sourced from PubChem (CID 65079928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).