N-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine

C16H27N — CID 116546427

IUPACN-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine
SMILESCCCc1cccc(C(C)C(C)CNCC)c1
InChIInChI=1S/C16H27N/c1-5-8-15-9-7-10-16(11-15)14(4)13(3)12-17-6-2/h7,9-11,13-14,17H,5-6,8,12H2,1-4H3
InChIKeyVWUSQRRYQQADTQ-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.99
Rot. Bonds7

About N-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine

N-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine (PubChem CID 116546427) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine
PubChem CID116546427
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine
SMILESCCCc1cccc(C(C)C(C)CNCC)c1
InChIInChI=1S/C16H27N/c1-5-8-15-9-7-10-16(11-15)14(4)13(3)12-17-6-2/h7,9-11,13-14,17H,5-6,8,12H2,1-4H3
InChIKeyVWUSQRRYQQADTQ-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-dimethyl-3-(3-propylphenyl)butan-1-amine
CID 116546425
2-methyl-3-(3-propylphenyl)butan-1-amine
CID 116546394
1-(3-chlorobutan-2-yl)-3-propylbenzene
CID 116545543
N-ethyl-2-methyl-3-(3-propan-2-yloxyphenyl)butan-1-amine
CID 81015905
N-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81015140
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
1-(3-propylphenyl)ethanamine
CID 116543909
2-(3-propylphenyl)propanal
CID 105436614
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
2-methyl-N-[2-(3-propylphenyl)ethyl]propan-1-amine
CID 116545559
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
N-ethyl-3-(3-propylphenyl)prop-2-yn-1-amine
CID 114498011

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine (CID 116546427) is N-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine is CCCc1cccc(C(C)C(C)CNCC)c1.
What is the InChIKey of N-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine?
The InChIKey is VWUSQRRYQQADTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-8-15-9-7-10-16(11-15)14(4)13(3)12-17-6-2/h7,9-11,13-14,17H,5-6,8,12H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine?
N-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-(3-propylphenyl)butan-1-amine is sourced from PubChem (CID 116546427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).