5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine

C15H24ClN — CID 65304384

IUPAC5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
SMILESCC(CCNC(C)C)CCc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN/c1-12(2)17-11-10-13(3)4-5-14-6-8-15(16)9-7-14/h6-9,12-13,17H,4-5,10-11H2,1-3H3
InChIKeyCLLOBROLBHSMCQ-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.30
Rot. Bonds7

About 5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine

5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 65304384) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
PubChem CID65304384
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
SMILESCC(CCNC(C)C)CCc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClN/c1-12(2)17-11-10-13(3)4-5-14-6-8-15(16)9-7-14/h6-9,12-13,17H,4-5,10-11H2,1-3H3
InChIKeyCLLOBROLBHSMCQ-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine
CID 65304680
5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304387
5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304479
5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 79735912
3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine
CID 66258058
1-(4-bromo-3-methylbutyl)-4-chlorobenzene
CID 64673348
2-[2-(4-chlorophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 60654107
5-(4-bromo-5-chloro-2-fluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 105400317
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62411652
4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 82924989
1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol
CID 121016044
4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64665001

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine (CID 65304384) is 5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine is CC(CCNC(C)C)CCc1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is CLLOBROLBHSMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-12(2)17-11-10-13(3)4-5-14-6-8-15(16)9-7-14/h6-9,12-13,17H,4-5,10-11H2,1-3H3.
What are the key properties of 5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine?
5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 65304384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).