N-[(4-propan-2-ylphenyl)methyl]butan-2-amine

C14H23N — CID 4723370

IUPACN-[(4-propan-2-ylphenyl)methyl]butan-2-amine
SMILESCCC(C)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C14H23N/c1-5-12(4)15-10-13-6-8-14(9-7-13)11(2)3/h6-9,11-12,15H,5,10H2,1-4H3
InChIKeyDLKTXEAEOIOIMO-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.70
Rot. Bonds5

About N-[(4-propan-2-ylphenyl)methyl]butan-2-amine

N-[(4-propan-2-ylphenyl)methyl]butan-2-amine (PubChem CID 4723370) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]butan-2-amine
PubChem CID4723370
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]butan-2-amine
SMILESCCC(C)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C14H23N/c1-5-12(4)15-10-13-6-8-14(9-7-13)11(2)3/h6-9,11-12,15H,5,10H2,1-4H3
InChIKeyDLKTXEAEOIOIMO-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-ethylphenyl)methyl]butan-2-amine;hydrochloride
CID 17291451
N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine
CID 43398775
(2R)-N-[[4-(2-methylpropyl)phenyl]methyl]butan-2-amine
CID 94682877
(2S)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245142
4-[[[(2R)-butan-2-yl]amino]methyl]-N,N-diethylaniline
CID 40649734
N-[(4-ethenylphenyl)methyl]butan-2-amine
CID 90317811
1-(4-fluorophenyl)-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 63454016
3-[(4-propan-2-ylphenyl)methylamino]pentan-1-ol
CID 115644809
N-[(4-methylsulfonylphenyl)methyl]butan-2-amine
CID 61068227
N-[(3,4-dichlorophenyl)methyl]butan-2-amine;hydrochloride
CID 17293997
1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 79008837
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]butan-2-amine?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]butan-2-amine (CID 4723370) is N-[(4-propan-2-ylphenyl)methyl]butan-2-amine.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]butan-2-amine?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]butan-2-amine is CCC(C)NCc1ccc(C(C)C)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]butan-2-amine?
The InChIKey is DLKTXEAEOIOIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-12(4)15-10-13-6-8-14(9-7-13)11(2)3/h6-9,11-12,15H,5,10H2,1-4H3.
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]butan-2-amine?
N-[(4-propan-2-ylphenyl)methyl]butan-2-amine has a molecular weight of 205.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]butan-2-amine is sourced from PubChem (CID 4723370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).