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

C14H22ClN — CID 90144753

IUPACN-[(3-chlorophenyl)methyl]-N-propan-2-ylbutan-1-amine
SMILESCCCCN(Cc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C14H22ClN/c1-4-5-9-16(12(2)3)11-13-7-6-8-14(15)10-13/h6-8,10,12H,4-5,9,11H2,1-3H3
InChIKeyTYORXAOAZVXVBQ-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.35
Rot. Bonds6

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

N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutan-1-amine (PubChem CID 90144753) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-propan-2-ylbutan-1-amine
PubChem CID90144753
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-[(3-chlorophenyl)methyl]-N-propan-2-ylbutan-1-amine
SMILESCCCCN(Cc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C14H22ClN/c1-4-5-9-16(12(2)3)11-13-7-6-8-14(15)10-13/h6-8,10,12H,4-5,9,11H2,1-3H3
InChIKeyTYORXAOAZVXVBQ-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[(3-chlorophenyl)methyl]-N-propan-2-ylpropan-1-amine
CID 80680513
2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetonitrile
CID 51086725
3-[butyl-[(3-chlorophenyl)methyl]amino]-2-methylpropanoic acid
CID 82327706
3-[(3-chlorophenyl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82327708
2-[[(3-chlorophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 43460476
ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
CID 60775299
bis(N-benzyl-N-propan-2-ylhexadecan-1-amine);hydrobromide;hydrochloride
CID 173037592
N-[(4-chloro-3-nitrophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 63481397
3-[[pentyl(propan-2-yl)amino]methyl]benzenecarboximidamide
CID 55002214
N-[(3-bromo-4-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 55191844
N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
N-[(3-chlorophenyl)methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride
CID 120898515

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutan-1-amine (CID 90144753) is N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutan-1-amine is CCCCN(Cc1cccc(Cl)c1)C(C)C.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutan-1-amine?
The InChIKey is TYORXAOAZVXVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-4-5-9-16(12(2)3)11-13-7-6-8-14(15)10-13/h6-8,10,12H,4-5,9,11H2,1-3H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutan-1-amine?
N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 90144753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).