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

C15H24ClN — CID 156849386

IUPACN-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)CCN(Cc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C15H24ClN/c1-12(2)9-10-17(13(3)4)11-14-5-7-15(16)8-6-14/h5-8,12-13H,9-11H2,1-4H3
InChIKeySBFBZJZQADITNB-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.60
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 156849386) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID156849386
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC NameN-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)CCN(Cc1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C15H24ClN/c1-12(2)9-10-17(13(3)4)11-14-5-7-15(16)8-6-14/h5-8,12-13H,9-11H2,1-4H3
InChIKeySBFBZJZQADITNB-UHFFFAOYSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-[[3-methylbutyl(propan-2-yl)amino]methyl]phenol
CID 156850117
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CID 54996572
N-(2-bromoethyl)-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 80671287
N-[(4-chlorophenyl)methyl]-2-methyl-N-propan-2-ylpropanamide
CID 143072350
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
3-chloro-N-[(4-iodophenyl)methyl]-N-propan-2-ylpropan-1-amine
CID 65491139
N'-[(4-methylsulfanylphenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 66568276
N-[(4-chlorophenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 80544192
N,N-dimethyl-4-[[propan-2-yl(propyl)amino]methyl]aniline
CID 142231722
N-(2-bromoethyl)-N-[(3,4-dichlorophenyl)methyl]propan-2-amine
CID 80670954
N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849259
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 59540436

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine (CID 156849386) is N-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine is CC(C)CCN(Cc1ccc(Cl)cc1)C(C)C.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is SBFBZJZQADITNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-12(2)9-10-17(13(3)4)11-14-5-7-15(16)8-6-14/h5-8,12-13H,9-11H2,1-4H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine?
N-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 253.82 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 156849386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).