4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine

C16H25ClN2O — CID 104721832

IUPAC4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine
SMILESCCC1(C)CC(CN)(Nc2ccc(C)c(Cl)c2)CCO1
InChIInChI=1S/C16H25ClN2O/c1-4-15(3)10-16(11-18,7-8-20-15)19-13-6-5-12(2)14(17)9-13/h5-6,9,19H,4,7-8,10-11,18H2,1-3H3
InChIKeyKZINXPCVGORXGQ-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.74
Rot. Bonds4

About 4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine

4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine (PubChem CID 104721832) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine
PubChem CID104721832
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine
SMILESCCC1(C)CC(CN)(Nc2ccc(C)c(Cl)c2)CCO1
InChIInChI=1S/C16H25ClN2O/c1-4-15(3)10-16(11-18,7-8-20-15)19-13-6-5-12(2)14(17)9-13/h5-6,9,19H,4,7-8,10-11,18H2,1-3H3
InChIKeyKZINXPCVGORXGQ-UHFFFAOYSA-N
XLogP3.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyl-2-methyloxan-4-amine
CID 107619534
4-(aminomethyl)-2-ethyl-N-(4-fluorophenyl)-2-methyloxan-4-amine
CID 65377702
4-(aminomethyl)-2-ethyl-N-(3-fluorophenyl)-2-methyloxan-4-amine
CID 65385727
N-[1-(aminomethyl)-4,4-dimethylcyclohexyl]-3-chloro-4-methylaniline
CID 104721710
1-(aminomethyl)-N-(3-chloro-4-methylphenyl)cyclooctan-1-amine
CID 104721790
3-(aminomethyl)-N-(3-chloro-4-methylphenyl)thiolan-3-amine
CID 104721792
N-[1-(aminomethyl)-4-tert-butylcyclohexyl]-3-chloro-4-methylaniline
CID 104721776
1-(aminomethyl)-N-(3-chloro-4-methylphenyl)-4-ethylcycloheptan-1-amine
CID 104721732
7-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-amine
CID 104721739
N-[4-(aminomethyl)-2-ethyl-2-methyloxan-4-yl]piperidin-1-amine
CID 83010918
4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyloxan-4-amine
CID 107619654
N-[1-(aminomethyl)-2-methylcyclopentyl]-3-chloro-4-methylaniline
CID 113445292

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine (CID 104721832) is 4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine is CCC1(C)CC(CN)(Nc2ccc(C)c(Cl)c2)CCO1.
What is the InChIKey of 4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine?
The InChIKey is KZINXPCVGORXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-4-15(3)10-16(11-18,7-8-20-15)19-13-6-5-12(2)14(17)9-13/h5-6,9,19H,4,7-8,10-11,18H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine?
4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine has a molecular weight of 296.84 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-chloro-4-methylphenyl)-2-ethyl-2-methyloxan-4-amine is sourced from PubChem (CID 104721832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).