N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine

C19H31NO — CID 116771044

IUPACN-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)C1(OCC)CCCCCC1
InChIInChI=1S/C19H31NO/c1-4-20-18(17-12-10-16(3)11-13-17)19(21-5-2)14-8-6-7-9-15-19/h10-13,18,20H,4-9,14-15H2,1-3H3
InChIKeyFCINTRRPAOWOJC-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.78
Rot. Bonds6

About N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine

N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine (PubChem CID 116771044) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
PubChem CID116771044
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)C1(OCC)CCCCCC1
InChIInChI=1S/C19H31NO/c1-4-20-18(17-12-10-16(3)11-13-17)19(21-5-2)14-8-6-7-9-15-19/h10-13,18,20H,4-9,14-15H2,1-3H3
InChIKeyFCINTRRPAOWOJC-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine
CID 116762251
N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine
CID 104611192
N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine
CID 116762125
N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 116764104
N-[(3,4-dimethylphenyl)-(1-ethoxycyclopentyl)methyl]ethanamine
CID 116762306
N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine
CID 116764056
N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116764137
1-[ethylamino-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065926
N-[(1-ethoxycyclopentyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 116762140
N-[(1-ethoxycycloheptyl)-(3-fluorophenyl)methyl]ethanamine
CID 116771021
N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 116764229
N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine
CID 116762278

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine (CID 116771044) is N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)cc1)C1(OCC)CCCCCC1.
What is the InChIKey of N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine?
The InChIKey is FCINTRRPAOWOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-4-20-18(17-12-10-16(3)11-13-17)19(21-5-2)14-8-6-7-9-15-19/h10-13,18,20H,4-9,14-15H2,1-3H3.
What are the key properties of N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine?
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 116771044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).