(1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine

C18H29NO — CID 81389655

IUPAC(1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine
SMILESCCOc1ccc(CN[C@@H](C)C2CCCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-3-20-18-12-10-16(11-13-18)14-19-15(2)17-8-6-4-5-7-9-17/h10-13,15,17,19H,3-9,14H2,1-2H3/t15-/m0/s1
InChIKeySNGSFPKXNBWSIZ-HNNXBMFYSA-N
MW275.44 g/mol
LogP4.53
Rot. Bonds6

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

(1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine (PubChem CID 81389655) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine
PubChem CID81389655
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine
SMILESCCOc1ccc(CN[C@@H](C)C2CCCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-3-20-18-12-10-16(11-13-18)14-19-15(2)17-8-6-4-5-7-9-17/h10-13,15,17,19H,3-9,14H2,1-2H3/t15-/m0/s1
InChIKeySNGSFPKXNBWSIZ-HNNXBMFYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-[(4-butoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81391494
(1R)-1-cycloheptyl-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 81388633
(1R)-1-cyclopentyl-N-[(4-pentoxyphenyl)methyl]ethanamine
CID 81389966
(1S)-1-cyclohexyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81387895
(1S)-1-cyclopentyl-N-[(4-ethylphenyl)methyl]ethanamine
CID 81386101
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol
CID 81390490
(1S)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81390306
N-[(4-ethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331532
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
(1R)-1-cycloheptyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81388470
N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208422
(1R)-1-cyclopentyl-N-[(4-methylphenyl)methyl]ethanamine
CID 81394920

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine (CID 81389655) is (1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine is CCOc1ccc(CN[C@@H](C)C2CCCCCC2)cc1.
What is the InChIKey of (1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine?
The InChIKey is SNGSFPKXNBWSIZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-20-18-12-10-16(11-13-18)14-19-15(2)17-8-6-4-5-7-9-17/h10-13,15,17,19H,3-9,14H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine?
(1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-[(4-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81389655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).