2,2-dimethyl-N-(2-phenylethyl)-N-propylpropan-1-amine

C16H27N — CID 67814456

IUPAC2,2-dimethyl-N-(2-phenylethyl)-N-propylpropan-1-amine
SMILESCCCN(CCc1ccccc1)CC(C)(C)C
InChIInChI=1S/C16H27N/c1-5-12-17(14-16(2,3)4)13-11-15-9-7-6-8-10-15/h6-10H,5,11-14H2,1-4H3
InChIKeyALUBMBHQPNUYCZ-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.99
Rot. Bonds6

About 2,2-dimethyl-N-(2-phenylethyl)-N-propylpropan-1-amine

2,2-dimethyl-N-(2-phenylethyl)-N-propylpropan-1-amine (PubChem CID 67814456) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-phenylethyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-phenylethyl)-N-propylpropan-1-amine
PubChem CID67814456
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2,2-dimethyl-N-(2-phenylethyl)-N-propylpropan-1-amine
SMILESCCCN(CCc1ccccc1)CC(C)(C)C
InChIInChI=1S/C16H27N/c1-5-12-17(14-16(2,3)4)13-11-15-9-7-6-8-10-15/h6-10H,5,11-14H2,1-4H3
InChIKeyALUBMBHQPNUYCZ-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-N-(2-phenylethyl)propan-1-amine
CID 11370098
2-[2-phenylethyl(propyl)amino]acetonitrile
CID 55206924
N,N-dibenzylpropan-1-amine
CID 10840212
15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate
CID 173447970
N-ethyl-N-(2-phenylethyl)heptan-1-amine
CID 59678043
2-[ethyl(2-phenylethyl)amino]acetonitrile
CID 60970456
N,N-diethylpropan-1-amine;ethylbenzene
CID 142078527
propylbenzene;N,N,2-trimethylpropan-2-amine
CID 91496276
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
2-[octyl(2-phenylethyl)amino]acetonitrile
CID 4554357
2-[2-(4-tert-butylphenyl)ethyl-propylamino]acetic acid
CID 122040131
2-(bromomethyl)-N-methyl-N-(2-phenylethyl)-2-propylpentan-1-amine
CID 65487454

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-phenylethyl)-N-propylpropan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-phenylethyl)-N-propylpropan-1-amine (CID 67814456) is 2,2-dimethyl-N-(2-phenylethyl)-N-propylpropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-phenylethyl)-N-propylpropan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-phenylethyl)-N-propylpropan-1-amine is CCCN(CCc1ccccc1)CC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-phenylethyl)-N-propylpropan-1-amine?
The InChIKey is ALUBMBHQPNUYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-12-17(14-16(2,3)4)13-11-15-9-7-6-8-10-15/h6-10H,5,11-14H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(2-phenylethyl)-N-propylpropan-1-amine?
2,2-dimethyl-N-(2-phenylethyl)-N-propylpropan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-phenylethyl)-N-propylpropan-1-amine is sourced from PubChem (CID 67814456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).