4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine

C16H26N2O — CID 65376917

IUPAC4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine
SMILESCCCC1CC(CN)(Nc2ccc(C)cc2)CCO1
InChIInChI=1S/C16H26N2O/c1-3-4-15-11-16(12-17,9-10-19-15)18-14-7-5-13(2)6-8-14/h5-8,15,18H,3-4,9-12,17H2,1-2H3
InChIKeyPGOJBQZTCKVMFB-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.08
Rot. Bonds5

About 4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine

4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine (PubChem CID 65376917) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine
PubChem CID65376917
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine
SMILESCCCC1CC(CN)(Nc2ccc(C)cc2)CCO1
InChIInChI=1S/C16H26N2O/c1-3-4-15-11-16(12-17,9-10-19-15)18-14-7-5-13(2)6-8-14/h5-8,15,18H,3-4,9-12,17H2,1-2H3
InChIKeyPGOJBQZTCKVMFB-UHFFFAOYSA-N
XLogP3.08
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-2-ethyl-N-(4-methylphenyl)oxan-4-amine
CID 65379219
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-propyloxan-4-amine
CID 107573280
4-(aminomethyl)-N-(4-bromophenyl)-2-ethyloxan-4-amine
CID 65385977
4-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-2-propyloxan-4-amine
CID 114839078
3-(aminomethyl)-N-(4-methylphenyl)oxolan-3-amine
CID 65378588
4-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-2-ethyloxan-4-amine
CID 107573083
4-(aminomethyl)-N-(4-bromo-3-chlorophenyl)-2-ethyloxan-4-amine
CID 107619654
4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-2-ethyloxan-4-amine
CID 104776461
4-(aminomethyl)-2-propyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65378217
4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propyloxan-4-amine
CID 115406424
N-[1-(aminomethyl)cyclopentyl]-4-methylaniline
CID 65379015
N-[4-(aminomethyl)-2-propyloxan-4-yl]piperidin-1-amine
CID 83010684

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine (CID 65376917) is 4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine is CCCC1CC(CN)(Nc2ccc(C)cc2)CCO1.
What is the InChIKey of 4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine?
The InChIKey is PGOJBQZTCKVMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-4-15-11-16(12-17,9-10-19-15)18-14-7-5-13(2)6-8-14/h5-8,15,18H,3-4,9-12,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine?
4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine has a molecular weight of 262.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-methylphenyl)-2-propyloxan-4-amine is sourced from PubChem (CID 65376917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).