3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine

C16H27N — CID 54896933

IUPAC3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)Cc1cccc(C)c1
InChIInChI=1S/C16H27N/c1-5-10-17-14(4)16(6-2)12-15-9-7-8-13(3)11-15/h7-9,11,14,16-17H,5-6,10,12H2,1-4H3
InChIKeyRLWNPKLXXGRPSZ-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.95
Rot. Bonds7

About 3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine

3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine (PubChem CID 54896933) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine
PubChem CID54896933
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)Cc1cccc(C)c1
InChIInChI=1S/C16H27N/c1-5-10-17-14(4)16(6-2)12-15-9-7-8-13(3)11-15/h7-9,11,14,16-17H,5-6,10,12H2,1-4H3
InChIKeyRLWNPKLXXGRPSZ-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-1-(3-methylphenyl)-N-propylheptan-2-amine
CID 63528478
3-benzyl-4-phenyl-N-propylbutan-2-amine
CID 66438552
3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896932
1-(3-fluorophenyl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 63417000
N-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63526394
3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 107897187
N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60819207
4-(3-methylphenyl)-1-phenyl-N-propylbutan-2-amine
CID 63528116
1-(3-methylphenyl)-N-propylpent-4-yn-2-amine
CID 62235336
3-ethoxy-4-methyl-1-(3-methylphenyl)-N-propylpentan-2-amine
CID 116721758
3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529354
1-(2-chlorobutyl)-3-methylbenzene
CID 63016853

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine?
The IUPAC name of 3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine (CID 54896933) is 3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine.
What is the SMILES notation for 3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine?
The canonical SMILES for 3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine is CCCNC(C)C(CC)Cc1cccc(C)c1.
What is the InChIKey of 3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine?
The InChIKey is RLWNPKLXXGRPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-10-17-14(4)16(6-2)12-15-9-7-8-13(3)11-15/h7-9,11,14,16-17H,5-6,10,12H2,1-4H3.
What are the key properties of 3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine?
3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine is sourced from PubChem (CID 54896933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).