N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine

C18H28ClNO — CID 116764229

IUPACN-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)C1(OCC)CCCCC1
InChIInChI=1S/C18H28ClNO/c1-3-14-20-17(15-8-10-16(19)11-9-15)18(21-4-2)12-6-5-7-13-18/h8-11,17,20H,3-7,12-14H2,1-2H3
InChIKeyZUCSBFAYEZCJPH-UHFFFAOYSA-N
MW309.88 g/mol
LogP5.12
Rot. Bonds7

About N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine

N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine (PubChem CID 116764229) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine
PubChem CID116764229
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC NameN-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1)C1(OCC)CCCCC1
InChIInChI=1S/C18H28ClNO/c1-3-14-20-17(15-8-10-16(19)11-9-15)18(21-4-2)12-6-5-7-13-18/h8-11,17,20H,3-7,12-14H2,1-2H3
InChIKeyZUCSBFAYEZCJPH-UHFFFAOYSA-N
XLogP5.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.88
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethoxycyclohexyl)-phenylmethyl]propan-1-amine
CID 116764179
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 116762445
N-[(1-ethoxycyclohexyl)-(furan-3-yl)methyl]propan-1-amine
CID 116764210
N-[(4-chloro-2-fluorophenyl)-(1-ethoxycyclopentyl)methyl]propan-1-amine
CID 116762384
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044
N-[(1-ethoxycyclohexyl)-(2-methylphenyl)methyl]propan-1-amine
CID 116764251
N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714564
N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine
CID 116765963
N-[(3-chlorophenyl)-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766029
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine
CID 116762251
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine (CID 116764229) is N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)cc1)C1(OCC)CCCCC1.
What is the InChIKey of N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine?
The InChIKey is ZUCSBFAYEZCJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-3-14-20-17(15-8-10-16(19)11-9-15)18(21-4-2)12-6-5-7-13-18/h8-11,17,20H,3-7,12-14H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine?
N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine has a molecular weight of 309.88 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 116764229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).