2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine

C22H29NO — CID 83973210

IUPAC2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine
SMILESNCC(c1ccc(OCc2ccccc2)cc1)C1CCCCCC1
InChIInChI=1S/C22H29NO/c23-16-22(19-10-6-1-2-7-11-19)20-12-14-21(15-13-20)24-17-18-8-4-3-5-9-18/h3-5,8-9,12-15,19,22H,1-2,6-7,10-11,16-17,23H2
InChIKeyDQLWXLOTGRMNES-UHFFFAOYSA-N
MW323.48 g/mol
LogP5.28
Rot. Bonds6

About 2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine

2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine (PubChem CID 83973210) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine
PubChem CID83973210
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine
SMILESNCC(c1ccc(OCc2ccccc2)cc1)C1CCCCCC1
InChIInChI=1S/C22H29NO/c23-16-22(19-10-6-1-2-7-11-19)20-12-14-21(15-13-20)24-17-18-8-4-3-5-9-18/h3-5,8-9,12-15,19,22H,1-2,6-7,10-11,16-17,23H2
InChIKeyDQLWXLOTGRMNES-UHFFFAOYSA-N
XLogP5.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171230786
(R)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine
CID 171211184
(S)-cyclopropyl-(4-phenylmethoxyphenyl)methanamine;hydrochloride
CID 171230787
2-cyclobutyl-2-phenylethanamine;hydrochloride
CID 155858547
2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine
CID 16642929
(1S)-2-cyclopropyl-1-(4-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171230778
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
2-cyclohexyl-2-(3-phenoxyphenyl)ethanamine
CID 83973421
1-(4-phenylmethoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066972
(R)-(4-phenylmethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314574
2-[(R)-amino(cyclohexyl)methyl]-5-phenylmethoxyphenol;hydrochloride
CID 171214482
2-[2-nitro-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-one
CID 21245993

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine?
The IUPAC name of 2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine (CID 83973210) is 2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine?
The canonical SMILES for 2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine is NCC(c1ccc(OCc2ccccc2)cc1)C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine?
The InChIKey is DQLWXLOTGRMNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c23-16-22(19-10-6-1-2-7-11-19)20-12-14-21(15-13-20)24-17-18-8-4-3-5-9-18/h3-5,8-9,12-15,19,22H,1-2,6-7,10-11,16-17,23H2.
What are the key properties of 2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine?
2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine has a molecular weight of 323.48 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine is sourced from PubChem (CID 83973210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).