N,2,4-trimethyl-2-phenylheptan-3-amine

C16H27N — CID 107893976

IUPACN,2,4-trimethyl-2-phenylheptan-3-amine
SMILESCCCC(C)C(NC)C(C)(C)c1ccccc1
InChIInChI=1S/C16H27N/c1-6-10-13(2)15(17-5)16(3,4)14-11-8-7-9-12-14/h7-9,11-13,15,17H,6,10H2,1-5H3
InChIKeyGREDWSDZKOIWEU-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.99
Rot. Bonds6

About N,2,4-trimethyl-2-phenylheptan-3-amine

N,2,4-trimethyl-2-phenylheptan-3-amine (PubChem CID 107893976) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N,2,4-trimethyl-2-phenylheptan-3-amine.

Molecular Properties

Compound NameN,2,4-trimethyl-2-phenylheptan-3-amine
PubChem CID107893976
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN,2,4-trimethyl-2-phenylheptan-3-amine
SMILESCCCC(C)C(NC)C(C)(C)c1ccccc1
InChIInChI=1S/C16H27N/c1-6-10-13(2)15(17-5)16(3,4)14-11-8-7-9-12-14/h7-9,11-13,15,17H,6,10H2,1-5H3
InChIKeyGREDWSDZKOIWEU-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2,4-trimethyl-2-phenylhexan-3-amine
CID 79446708
N,2,4-trimethyl-2-phenylpentan-3-amine
CID 21032330
2,4-dimethyl-2-phenyl-N-propylhexan-3-amine
CID 79446921
(2-methyl-2-phenylhexan-3-yl)hydrazine
CID 105216295
3-methyl-2-phenylhexan-2-amine
CID 107892285
2,7-dimethyl-2-phenyl-N-propyloctan-3-amine
CID 83162206
(2-phenyl-3-propylhexan-2-yl)benzene
CID 139749619
(2-methyl-3,4-diphenylpentan-2-yl)benzene
CID 173387028
(3,4-dimethyl-2-phenylhexan-2-yl)benzene
CID 154351099
2,3,6-trimethylheptan-2-ylbenzene
CID 20588991
(1-iodo-2-methylpentyl)benzene
CID 174742530
2,3-dimethylbutan-2-ylbenzene;ethane;2-methylbutane
CID 142581096

Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-2-phenylheptan-3-amine?
The IUPAC name of N,2,4-trimethyl-2-phenylheptan-3-amine (CID 107893976) is N,2,4-trimethyl-2-phenylheptan-3-amine.
What is the SMILES notation for N,2,4-trimethyl-2-phenylheptan-3-amine?
The canonical SMILES for N,2,4-trimethyl-2-phenylheptan-3-amine is CCCC(C)C(NC)C(C)(C)c1ccccc1.
What is the InChIKey of N,2,4-trimethyl-2-phenylheptan-3-amine?
The InChIKey is GREDWSDZKOIWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-10-13(2)15(17-5)16(3,4)14-11-8-7-9-12-14/h7-9,11-13,15,17H,6,10H2,1-5H3.
What are the key properties of N,2,4-trimethyl-2-phenylheptan-3-amine?
N,2,4-trimethyl-2-phenylheptan-3-amine has a molecular weight of 233.40 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-2-phenylheptan-3-amine is sourced from PubChem (CID 107893976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).