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

C17H27NO — CID 65431740

IUPAC2-methyl-N-[3-(oxolan-2-yl)-2-phenylpropyl]propan-2-amine
SMILESCC(C)(C)NCC(CC1CCCO1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-17(2,3)18-13-15(12-16-10-7-11-19-16)14-8-5-4-6-9-14/h4-6,8-9,15-16,18H,7,10-13H2,1-3H3
InChIKeyKKFHLZASNIFIHV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.73
Rot. Bonds5

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

2-methyl-N-[3-(oxolan-2-yl)-2-phenylpropyl]propan-2-amine (PubChem CID 65431740) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-methyl-N-[3-(oxolan-2-yl)-2-phenylpropyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(oxolan-2-yl)-2-phenylpropyl]propan-2-amine
PubChem CID65431740
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-methyl-N-[3-(oxolan-2-yl)-2-phenylpropyl]propan-2-amine
SMILESCC(C)(C)NCC(CC1CCCO1)c1ccccc1
InChIInChI=1S/C17H27NO/c1-17(2,3)18-13-15(12-16-10-7-11-19-16)14-8-5-4-6-9-14/h4-6,8-9,15-16,18H,7,10-13H2,1-3H3
InChIKeyKKFHLZASNIFIHV-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]-2-methylpropan-2-amine
CID 79438523
N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79424138
2-(3-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 79443477
N-methyl-5-(oxolan-2-yl)-2-phenylpentan-1-amine
CID 65431144
2-[(4-bromophenyl)methyl]-N-tert-butyl-3-(oxolan-2-yl)propan-1-amine
CID 62549280
N-[2-(4-fluorophenyl)-3-(oxolan-2-yl)propyl]cyclopropanamine
CID 79437936
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine
CID 78914378
N-[3-cyclopentyl-2-(4-methylphenyl)propyl]-2-methylpropan-2-amine
CID 79436169
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(oxolan-2-yl)-2-phenylpropyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-(oxolan-2-yl)-2-phenylpropyl]propan-2-amine (CID 65431740) is 2-methyl-N-[3-(oxolan-2-yl)-2-phenylpropyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-(oxolan-2-yl)-2-phenylpropyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-(oxolan-2-yl)-2-phenylpropyl]propan-2-amine is CC(C)(C)NCC(CC1CCCO1)c1ccccc1.
What is the InChIKey of 2-methyl-N-[3-(oxolan-2-yl)-2-phenylpropyl]propan-2-amine?
The InChIKey is KKFHLZASNIFIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,3)18-13-15(12-16-10-7-11-19-16)14-8-5-4-6-9-14/h4-6,8-9,15-16,18H,7,10-13H2,1-3H3.
What are the key properties of 2-methyl-N-[3-(oxolan-2-yl)-2-phenylpropyl]propan-2-amine?
2-methyl-N-[3-(oxolan-2-yl)-2-phenylpropyl]propan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(oxolan-2-yl)-2-phenylpropyl]propan-2-amine is sourced from PubChem (CID 65431740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).