N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine

C18H29NO — CID 116764179

IUPACN-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1)C1(OCC)CCCCC1
InChIInChI=1S/C18H29NO/c1-3-15-19-17(16-11-7-5-8-12-16)18(20-4-2)13-9-6-10-14-18/h5,7-8,11-12,17,19H,3-4,6,9-10,13-15H2,1-2H3
InChIKeyHQBHMVJNYGMOIM-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.47
Rot. Bonds7

About N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine

N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine (PubChem CID 116764179) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine
PubChem CID116764179
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine
SMILESCCCNC(c1ccccc1)C1(OCC)CCCCC1
InChIInChI=1S/C18H29NO/c1-3-15-19-17(16-11-7-5-8-12-16)18(20-4-2)13-9-6-10-14-18/h5,7-8,11-12,17,19H,3-4,6,9-10,13-15H2,1-2H3
InChIKeyHQBHMVJNYGMOIM-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine
CID 116765963
N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine
CID 116762125
N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 116764229
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 116762445
N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine
CID 116764251
N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine
CID 116764210
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044
N-[(1-ethoxycycloheptyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102834029
N-[(1-ethoxycyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 116762353
N-[cyclohexen-1-yl-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 106654605
N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 116764104
N-[(1-ethoxycycloheptyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103131457

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine?
The IUPAC name of N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine (CID 116764179) is N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine?
The canonical SMILES for N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine is CCCNC(c1ccccc1)C1(OCC)CCCCC1.
What is the InChIKey of N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine?
The InChIKey is HQBHMVJNYGMOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-15-19-17(16-11-7-5-8-12-16)18(20-4-2)13-9-6-10-14-18/h5,7-8,11-12,17,19H,3-4,6,9-10,13-15H2,1-2H3.
What are the key properties of N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine?
N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine is sourced from PubChem (CID 116764179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).