2,4-dimethyl-1-phenyl-N-propylheptan-1-amine

C18H31N — CID 104845594

IUPAC2,4-dimethyl-1-phenyl-N-propylheptan-1-amine
SMILESCCCNC(c1ccccc1)C(C)CC(C)CCC
InChIInChI=1S/C18H31N/c1-5-10-15(3)14-16(4)18(19-13-6-2)17-11-8-7-9-12-17/h7-9,11-12,15-16,18-19H,5-6,10,13-14H2,1-4H3
InChIKeyZFZZFVHDZSXJBB-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.19
Rot. Bonds9

About 2,4-dimethyl-1-phenyl-N-propylheptan-1-amine

2,4-dimethyl-1-phenyl-N-propylheptan-1-amine (PubChem CID 104845594) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 2,4-dimethyl-1-phenyl-N-propylheptan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-1-phenyl-N-propylheptan-1-amine
PubChem CID104845594
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name2,4-dimethyl-1-phenyl-N-propylheptan-1-amine
SMILESCCCNC(c1ccccc1)C(C)CC(C)CCC
InChIInChI=1S/C18H31N/c1-5-10-15(3)14-16(4)18(19-13-6-2)17-11-8-7-9-12-17/h7-9,11-12,15-16,18-19H,5-6,10,13-14H2,1-4H3
InChIKeyZFZZFVHDZSXJBB-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N',N',2-trimethyl-1-phenyl-N-propylpropane-1,3-diamine
CID 62618719
1-methoxy-4-methyl-1-phenyl-N-propylheptan-2-amine
CID 116773236
5-ethylsulfonyl-2-methyl-1-phenyl-N-propylpentan-1-amine
CID 104845545
2-methyl-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 43625521
4-methylheptan-2-ylbenzene
CID 21055597
4-methyl-2-phenyl-N-propylheptan-1-amine
CID 65430595
3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845559
3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845531
3-(furan-3-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845575
3-methyl-2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814691
2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 104845591
2-methyl-N-propyl-1-pyridin-3-ylpentan-1-amine
CID 115799813

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-phenyl-N-propylheptan-1-amine?
The IUPAC name of 2,4-dimethyl-1-phenyl-N-propylheptan-1-amine (CID 104845594) is 2,4-dimethyl-1-phenyl-N-propylheptan-1-amine.
What is the SMILES notation for 2,4-dimethyl-1-phenyl-N-propylheptan-1-amine?
The canonical SMILES for 2,4-dimethyl-1-phenyl-N-propylheptan-1-amine is CCCNC(c1ccccc1)C(C)CC(C)CCC.
What is the InChIKey of 2,4-dimethyl-1-phenyl-N-propylheptan-1-amine?
The InChIKey is ZFZZFVHDZSXJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-5-10-15(3)14-16(4)18(19-13-6-2)17-11-8-7-9-12-17/h7-9,11-12,15-16,18-19H,5-6,10,13-14H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-phenyl-N-propylheptan-1-amine?
2,4-dimethyl-1-phenyl-N-propylheptan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-phenyl-N-propylheptan-1-amine is sourced from PubChem (CID 104845594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).