2-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine

C17H28ClN — CID 106869442

IUPAC2-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
SMILESCc1ccc(CC(CNC(C)C)CC(C)C)c(Cl)c1
InChIInChI=1S/C17H28ClN/c1-12(2)8-15(11-19-13(3)4)10-16-7-6-14(5)9-17(16)18/h6-7,9,12-13,15,19H,8,10-11H2,1-5H3
InChIKeyKYSOQFIDCLGEPF-UHFFFAOYSA-N
MW281.87 g/mol
LogP4.85
Rot. Bonds7

About 2-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine

2-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 106869442) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
PubChem CID106869442
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC Name2-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
SMILESCc1ccc(CC(CNC(C)C)CC(C)C)c(Cl)c1
InChIInChI=1S/C17H28ClN/c1-12(2)8-15(11-19-13(3)4)10-16-7-6-14(5)9-17(16)18/h6-7,9,12-13,15,19H,8,10-11H2,1-5H3
InChIKeyKYSOQFIDCLGEPF-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.87
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-[2-(chloromethyl)-4-methylpentyl]-4-methylbenzene
CID 106870652
1-(2-chloro-4-methylphenyl)-N,4-dimethylpentan-2-amine
CID 106865986
N-tert-butyl-2-[(2,4-dichlorophenyl)methyl]-4-methylpentan-1-amine
CID 63497978
4-(2-chloro-4-methylphenyl)-3-methyl-N-propan-2-ylbutan-2-amine
CID 106869681
5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine
CID 106870188
2-[(2-chloro-4-methylphenyl)methyl]butan-1-ol
CID 106870597
1-(2-chloro-4-methylphenyl)-N,5-dimethylhexan-2-amine
CID 106866712
1-(2-chloro-4-methylphenyl)-3-(propan-2-ylamino)propan-2-one
CID 106871192
N-[3-(2-chloro-4-methylphenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 106869656
N-[2-[(2-chloro-4-methylphenyl)methoxy]ethyl]propan-2-amine
CID 106864761
N-tert-butyl-2-[(2-chloro-4-methylphenyl)methyl]-3-methylbutan-1-amine
CID 106869454
2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 63496037

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine (CID 106869442) is 2-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine is Cc1ccc(CC(CNC(C)C)CC(C)C)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is KYSOQFIDCLGEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-12(2)8-15(11-19-13(3)4)10-16-7-6-14(5)9-17(16)18/h6-7,9,12-13,15,19H,8,10-11H2,1-5H3.
What are the key properties of 2-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine?
2-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 281.87 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 106869442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).