N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine

C17H27NO — CID 62596968

IUPACN-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine
SMILESCCNCC1(c2ccc(OC)cc2)CCCCCC1
InChIInChI=1S/C17H27NO/c1-3-18-14-17(12-6-4-5-7-13-17)15-8-10-16(19-2)11-9-15/h8-11,18H,3-7,12-14H2,1-2H3
InChIKeyCMTYHYOCWGOEHM-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.90
Rot. Bonds5

About N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine

N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine (PubChem CID 62596968) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine
PubChem CID62596968
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine
SMILESCCNCC1(c2ccc(OC)cc2)CCCCCC1
InChIInChI=1S/C17H27NO/c1-3-18-14-17(12-6-4-5-7-13-17)15-8-10-16(19-2)11-9-15/h8-11,18H,3-7,12-14H2,1-2H3
InChIKeyCMTYHYOCWGOEHM-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine
CID 63516352
2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 62596604
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]cyclopropanamine
CID 62595322
N-[(1-pyridin-4-ylcyclohexyl)methyl]ethanamine
CID 80525156
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide
CID 110477111
1-(1-hydroxypropan-2-yl)-3-[[1-(4-methoxyphenyl)cyclohexyl]methyl]urea
CID 47875472
1-methoxy-4-[1-(2-methylprop-2-enyl)cyclohexyl]benzene
CID 146167664
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
N-[[1-(3,5-dimethylphenyl)cycloheptyl]methyl]ethanamine
CID 63511415
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine
CID 62594197
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918334
2-cyclopentylsulfonyl-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]acetamide
CID 60586923

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine (CID 62596968) is N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine is CCNCC1(c2ccc(OC)cc2)CCCCCC1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine?
The InChIKey is CMTYHYOCWGOEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-18-14-17(12-6-4-5-7-13-17)15-8-10-16(19-2)11-9-15/h8-11,18H,3-7,12-14H2,1-2H3.
What are the key properties of N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine?
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 62596968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).