N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine

C17H27NO2 — CID 63360332

IUPACN-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine
SMILESCC(C)COc1ccc(C(C)NC2CCCOC2)cc1
InChIInChI=1S/C17H27NO2/c1-13(2)11-20-17-8-6-15(7-9-17)14(3)18-16-5-4-10-19-12-16/h6-9,13-14,16,18H,4-5,10-12H2,1-3H3
InChIKeyIBPSLZUVKPZCHB-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.55
Rot. Bonds6

About N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine

N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine (PubChem CID 63360332) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine.

Molecular Properties

Compound NameN-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine
PubChem CID63360332
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine
SMILESCC(C)COc1ccc(C(C)NC2CCCOC2)cc1
InChIInChI=1S/C17H27NO2/c1-13(2)11-20-17-8-6-15(7-9-17)14(3)18-16-5-4-10-19-12-16/h6-9,13-14,16,18H,4-5,10-12H2,1-3H3
InChIKeyIBPSLZUVKPZCHB-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]oxepan-4-amine
CID 65081646
N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine
CID 63360226
N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine
CID 81345202
N-(cyclopentylmethyl)-1-[4-(2-methylpropoxy)phenyl]ethanamine
CID 43370779
4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide
CID 63360384
N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
CID 55188770
N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine
CID 63359921
(3R)-N-[1-(furan-3-yl)ethyl]oxan-3-amine
CID 131084239
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine
CID 80716691
N-[1-(4-methoxyphenyl)propyl]oxan-3-amine
CID 63359865
(3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine
CID 95379352
(3R)-N-[(1S)-1-(4-ethylphenyl)ethyl]oxolan-3-amine
CID 95379351

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine?
The IUPAC name of N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine (CID 63360332) is N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine.
What is the SMILES notation for N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine?
The canonical SMILES for N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine is CC(C)COc1ccc(C(C)NC2CCCOC2)cc1.
What is the InChIKey of N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine?
The InChIKey is IBPSLZUVKPZCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)11-20-17-8-6-15(7-9-17)14(3)18-16-5-4-10-19-12-16/h6-9,13-14,16,18H,4-5,10-12H2,1-3H3.
What are the key properties of N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine?
N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine has a molecular weight of 277.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine is sourced from PubChem (CID 63360332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).