3-(3-ethyl-4-methylphenyl)butan-1-amine

C13H21N — CID 117282743

IUPAC3-(3-ethyl-4-methylphenyl)butan-1-amine
SMILESCCc1cc(C(C)CCN)ccc1C
InChIInChI=1S/C13H21N/c1-4-12-9-13(6-5-10(12)2)11(3)7-8-14/h5-6,9,11H,4,7-8,14H2,1-3H3
InChIKeyBEZGJLDRJXPONU-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.01
Rot. Bonds4

About 3-(3-ethyl-4-methylphenyl)butan-1-amine

3-(3-ethyl-4-methylphenyl)butan-1-amine (PubChem CID 117282743) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-(3-ethyl-4-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-(3-ethyl-4-methylphenyl)butan-1-amine
PubChem CID117282743
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-(3-ethyl-4-methylphenyl)butan-1-amine
SMILESCCc1cc(C(C)CCN)ccc1C
InChIInChI=1S/C13H21N/c1-4-12-9-13(6-5-10(12)2)11(3)7-8-14/h5-6,9,11H,4,7-8,14H2,1-3H3
InChIKeyBEZGJLDRJXPONU-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chloro-3-methylphenyl)butan-1-amine
CID 82398517
3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-amine
CID 117097180
3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82492113
3-ethyl-4-methylaniline;hydrochloride
CID 23499109
1-[(3S)-3-(3,4-dimethylphenyl)butyl]-3-ethyl-2-methylbenzene
CID 142540092
tert-butyl N-[5-(4-aminobutan-2-yl)-2-methylphenyl]carbamate
CID 115113575
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
2-(3,4-dimethylphenyl)propan-1-amine
CID 43316823
3-[4-(difluoromethyl)phenyl]butan-1-amine
CID 117288660
3-[4-chloro-3-(2-chlorophenyl)phenyl]butan-1-amine
CID 82542679
4-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 96657410

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methylphenyl)butan-1-amine?
The IUPAC name of 3-(3-ethyl-4-methylphenyl)butan-1-amine (CID 117282743) is 3-(3-ethyl-4-methylphenyl)butan-1-amine.
What is the SMILES notation for 3-(3-ethyl-4-methylphenyl)butan-1-amine?
The canonical SMILES for 3-(3-ethyl-4-methylphenyl)butan-1-amine is CCc1cc(C(C)CCN)ccc1C.
What is the InChIKey of 3-(3-ethyl-4-methylphenyl)butan-1-amine?
The InChIKey is BEZGJLDRJXPONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-12-9-13(6-5-10(12)2)11(3)7-8-14/h5-6,9,11H,4,7-8,14H2,1-3H3.
What are the key properties of 3-(3-ethyl-4-methylphenyl)butan-1-amine?
3-(3-ethyl-4-methylphenyl)butan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methylphenyl)butan-1-amine is sourced from PubChem (CID 117282743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).