N-(2-methylpropyl)-4-(oxan-4-yl)-2-phenylbutan-1-amine

C19H31NO — CID 81027801

IUPACN-(2-methylpropyl)-4-(oxan-4-yl)-2-phenylbutan-1-amine
SMILESCC(C)CNCC(CCC1CCOCC1)c1ccccc1
InChIInChI=1S/C19H31NO/c1-16(2)14-20-15-19(18-6-4-3-5-7-18)9-8-17-10-12-21-13-11-17/h3-7,16-17,19-20H,8-15H2,1-2H3
InChIKeyIGTXALQJIBBLSD-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.22
Rot. Bonds8

About N-(2-methylpropyl)-4-(oxan-4-yl)-2-phenylbutan-1-amine

N-(2-methylpropyl)-4-(oxan-4-yl)-2-phenylbutan-1-amine (PubChem CID 81027801) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(oxan-4-yl)-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(oxan-4-yl)-2-phenylbutan-1-amine
PubChem CID81027801
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-(2-methylpropyl)-4-(oxan-4-yl)-2-phenylbutan-1-amine
SMILESCC(C)CNCC(CCC1CCOCC1)c1ccccc1
InChIInChI=1S/C19H31NO/c1-16(2)14-20-15-19(18-6-4-3-5-7-18)9-8-17-10-12-21-13-11-17/h3-7,16-17,19-20H,8-15H2,1-2H3
InChIKeyIGTXALQJIBBLSD-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclopentyl-N-ethyl-2-phenylbutan-1-amine
CID 81024739
2-methyl-N-[3-(oxan-3-yl)-2-phenylpropyl]propan-1-amine
CID 107138126
N-[2-(2-fluorophenyl)-3-(oxan-4-yl)propyl]-2-methylpropan-1-amine
CID 79434689
3-(2-methylpropylamino)-2-phenylpropan-1-ol
CID 115876691
N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine
CID 62986615
3-(oxan-4-yl)-N-(1-phenylethyl)propanamide
CID 84578473
N-(2-methylpropyl)-2-phenylhept-5-yn-1-amine
CID 81026656
6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine
CID 103020013
2-(3-chlorophenyl)-N-(2-methylpropyl)-4-(oxolan-2-yl)butan-1-amine
CID 79433188
N-ethyl-4-(oxan-4-yl)-1-phenylbutan-1-amine
CID 64502031
N'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine
CID 62878034
N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine
CID 103984701

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(oxan-4-yl)-2-phenylbutan-1-amine?
The IUPAC name of N-(2-methylpropyl)-4-(oxan-4-yl)-2-phenylbutan-1-amine (CID 81027801) is N-(2-methylpropyl)-4-(oxan-4-yl)-2-phenylbutan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-(oxan-4-yl)-2-phenylbutan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-4-(oxan-4-yl)-2-phenylbutan-1-amine is CC(C)CNCC(CCC1CCOCC1)c1ccccc1.
What is the InChIKey of N-(2-methylpropyl)-4-(oxan-4-yl)-2-phenylbutan-1-amine?
The InChIKey is IGTXALQJIBBLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-16(2)14-20-15-19(18-6-4-3-5-7-18)9-8-17-10-12-21-13-11-17/h3-7,16-17,19-20H,8-15H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-4-(oxan-4-yl)-2-phenylbutan-1-amine?
N-(2-methylpropyl)-4-(oxan-4-yl)-2-phenylbutan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(oxan-4-yl)-2-phenylbutan-1-amine is sourced from PubChem (CID 81027801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).