2-methyl-N-[3-(oxan-3-yl)-2-phenylpropyl]propan-1-amine

C18H29NO — CID 107138126

IUPAC2-methyl-N-[3-(oxan-3-yl)-2-phenylpropyl]propan-1-amine
SMILESCC(C)CNCC(CC1CCCOC1)c1ccccc1
InChIInChI=1S/C18H29NO/c1-15(2)12-19-13-18(17-8-4-3-5-9-17)11-16-7-6-10-20-14-16/h3-5,8-9,15-16,18-19H,6-7,10-14H2,1-2H3
InChIKeyPEPNUNDOQGNQJI-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.83
Rot. Bonds7

About 2-methyl-N-[3-(oxan-3-yl)-2-phenylpropyl]propan-1-amine

2-methyl-N-[3-(oxan-3-yl)-2-phenylpropyl]propan-1-amine (PubChem CID 107138126) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methyl-N-[3-(oxan-3-yl)-2-phenylpropyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(oxan-3-yl)-2-phenylpropyl]propan-1-amine
PubChem CID107138126
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-methyl-N-[3-(oxan-3-yl)-2-phenylpropyl]propan-1-amine
SMILESCC(C)CNCC(CC1CCCOC1)c1ccccc1
InChIInChI=1S/C18H29NO/c1-15(2)12-19-13-18(17-8-4-3-5-9-17)11-16-7-6-10-20-14-16/h3-5,8-9,15-16,18-19H,6-7,10-14H2,1-2H3
InChIKeyPEPNUNDOQGNQJI-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-4-(oxan-4-yl)-2-phenylbutan-1-amine
CID 81027801
2-methyl-N-(oxan-3-ylmethyl)-1-phenylpropan-1-amine
CID 54905602
3-(2-methylpropylamino)-2-phenylpropan-1-ol
CID 115876691
N,N-diethyl-N'-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63736846
N'-(oxolan-3-ylmethyl)-2-phenylpropane-1,3-diamine
CID 62878034
N-[2-(2-fluorophenyl)-3-(oxan-4-yl)propyl]-2-methylpropan-1-amine
CID 79434689
N-ethyl-3-(oxan-3-yl)-1-phenylpropan-1-amine
CID 107137812
N-(2-cyclopentyl-2-phenylethyl)-2-methylpropan-1-amine
CID 82934095
3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine
CID 103896914
N-(3-methoxy-2-phenylpropyl)-2-methylpropan-1-amine
CID 103984701
2-methyl-N-(2-phenylpropyl)propan-1-amine;hydrochloride
CID 17157782
1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine
CID 63727332

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(oxan-3-yl)-2-phenylpropyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[3-(oxan-3-yl)-2-phenylpropyl]propan-1-amine (CID 107138126) is 2-methyl-N-[3-(oxan-3-yl)-2-phenylpropyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(oxan-3-yl)-2-phenylpropyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(oxan-3-yl)-2-phenylpropyl]propan-1-amine is CC(C)CNCC(CC1CCCOC1)c1ccccc1.
What is the InChIKey of 2-methyl-N-[3-(oxan-3-yl)-2-phenylpropyl]propan-1-amine?
The InChIKey is PEPNUNDOQGNQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-15(2)12-19-13-18(17-8-4-3-5-9-17)11-16-7-6-10-20-14-16/h3-5,8-9,15-16,18-19H,6-7,10-14H2,1-2H3.
What are the key properties of 2-methyl-N-[3-(oxan-3-yl)-2-phenylpropyl]propan-1-amine?
2-methyl-N-[3-(oxan-3-yl)-2-phenylpropyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(oxan-3-yl)-2-phenylpropyl]propan-1-amine is sourced from PubChem (CID 107138126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).