N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine

C14H23N — CID 62530963

IUPACN-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine
SMILESCCNCC(CC)Cc1cccc(C)c1
InChIInChI=1S/C14H23N/c1-4-13(11-15-5-2)10-14-8-6-7-12(3)9-14/h6-9,13,15H,4-5,10-11H2,1-3H3
InChIKeyBVGQBMCSVNIGIB-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.17
Rot. Bonds6

About N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine

N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine (PubChem CID 62530963) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine
PubChem CID62530963
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine
SMILESCCNCC(CC)Cc1cccc(C)c1
InChIInChI=1S/C14H23N/c1-4-13(11-15-5-2)10-14-8-6-7-12(3)9-14/h6-9,13,15H,4-5,10-11H2,1-3H3
InChIKeyBVGQBMCSVNIGIB-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62516253
2-[(4-bromophenyl)methyl]-N-ethyl-3-(3-methylphenyl)propan-1-amine
CID 63523508
N-ethyl-5,5-dimethyl-2-[(3-methylphenyl)methyl]hexan-1-amine
CID 63520839
N-ethyl-4-ethylsulfonyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62516449
N-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine
CID 62516103
4-ethyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)hexan-1-amine
CID 82925868
N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62530770
N-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55083297
N-ethyl-2-[(3-methylphenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052981
N-ethyl-2-[(3-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62516451
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
N-ethyl-2-[(3-methylphenyl)methyl]-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014370

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine?
The IUPAC name of N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine (CID 62530963) is N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine?
The canonical SMILES for N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine is CCNCC(CC)Cc1cccc(C)c1.
What is the InChIKey of N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine?
The InChIKey is BVGQBMCSVNIGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-13(11-15-5-2)10-14-8-6-7-12(3)9-14/h6-9,13,15H,4-5,10-11H2,1-3H3.
What are the key properties of N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine?
N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 62530963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).