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

C14H22ClN — CID 64665001

IUPAC4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(CCc1cccc(Cl)c1)CNC(C)C
InChIInChI=1S/C14H22ClN/c1-11(2)16-10-12(3)7-8-13-5-4-6-14(15)9-13/h4-6,9,11-12,16H,7-8,10H2,1-3H3
InChIKeyNOQDIDXTSRVREU-UHFFFAOYSA-N
MW239.79 g/mol
LogP3.91
Rot. Bonds6

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

4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 64665001) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
PubChem CID64665001
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(CCc1cccc(Cl)c1)CNC(C)C
InChIInChI=1S/C14H22ClN/c1-11(2)16-10-12(3)7-8-13-5-4-6-14(15)9-13/h4-6,9,11-12,16H,7-8,10H2,1-3H3
InChIKeyNOQDIDXTSRVREU-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-3-(3-methylpentyl)benzene
CID 57308391
4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64666080
4-(3,4-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 82924989
2-[(3-chlorophenyl)methyl]-5-methyl-N-propan-2-ylhexan-1-amine
CID 63523534
2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529325
1-chloro-3-(3-phenylbutyl)benzene
CID 173298175
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
4-[(3-chlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089910
4-(3-chlorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 81023908
2-[(3-chlorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 55024294
2-[(3-chlorophenyl)methyl]-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
CID 106456688
1-chloro-3-(7-methyloctyl)benzene
CID 168947295

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine (CID 64665001) is 4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine is CC(CCc1cccc(Cl)c1)CNC(C)C.
What is the InChIKey of 4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is NOQDIDXTSRVREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-11(2)16-10-12(3)7-8-13-5-4-6-14(15)9-13/h4-6,9,11-12,16H,7-8,10H2,1-3H3.
What are the key properties of 4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine?
4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 64665001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).