1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine

C16H27N — CID 82262358

IUPAC1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(C(C)CC)cc1
InChIInChI=1S/C16H27N/c1-5-11-17-14(4)12-15-7-9-16(10-8-15)13(3)6-2/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyCIRQSIDPZVAJER-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.13
Rot. Bonds7

About 1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine

1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine (PubChem CID 82262358) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine
PubChem CID82262358
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(C(C)CC)cc1
InChIInChI=1S/C16H27N/c1-5-11-17-14(4)12-15-7-9-16(10-8-15)13(3)6-2/h7-10,13-14,17H,5-6,11-12H2,1-4H3
InChIKeyCIRQSIDPZVAJER-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-propyl-1-(4-propylphenyl)propan-2-amine
CID 82262360
4-[2-(propylamino)propyl]benzenesulfonamide
CID 55219921
N-[1-(4-butan-2-ylphenyl)propan-2-yl]cyclopentanamine
CID 82262683
2-[4-[2-(propylamino)propyl]phenoxy]butanenitrile
CID 115495209
1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine
CID 115495220
4-(4-phenylphenyl)-N-propylpentan-2-amine
CID 65453815
1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82315957
1-(3,4-dimethoxyphenyl)-N-propylpropan-2-amine
CID 43200450
N-[(4-butan-2-ylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79691128
N-[(5-bromothiophen-3-yl)-(4-butan-2-ylphenyl)methyl]propan-1-amine
CID 107960815
1-[(4-butan-2-ylphenyl)methyl]-3-propylurea
CID 110774875
1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine
CID 115495201

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine?
The IUPAC name of 1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine (CID 82262358) is 1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine is CCCNC(C)Cc1ccc(C(C)CC)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine?
The InChIKey is CIRQSIDPZVAJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-11-17-14(4)12-15-7-9-16(10-8-15)13(3)6-2/h7-10,13-14,17H,5-6,11-12H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine?
1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 82262358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).