N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine

C14H23N — CID 43489330

IUPACN-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine
SMILESCCNC(c1ccc(C)cc1)C(C)CC
InChIInChI=1S/C14H23N/c1-5-12(4)14(15-6-2)13-9-7-11(3)8-10-13/h7-10,12,14-15H,5-6H2,1-4H3
InChIKeyPZJAOVXTJZATNK-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.69
Rot. Bonds5

About N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine

N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine (PubChem CID 43489330) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine
PubChem CID43489330
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine
SMILESCCNC(c1ccc(C)cc1)C(C)CC
InChIInChI=1S/C14H23N/c1-5-12(4)14(15-6-2)13-9-7-11(3)8-10-13/h7-10,12,14-15H,5-6H2,1-4H3
InChIKeyPZJAOVXTJZATNK-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 43489608
1-(3-bromo-4-methylphenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017369
N-ethyl-1-(4-methylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine
CID 64612135
2-cyclopropyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 83154579
1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 43492837
1-(2,6-dimethyl-4-pyridinyl)-N-ethyl-2-methylbutan-1-amine
CID 107503886
N-ethyl-3-(4-methylphenyl)pentan-2-amine
CID 66436565
1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43490297
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
2-(4-bromophenyl)sulfanyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 64614946
N-ethyl-2-(3-methylbutylsulfonyl)-1-(4-methylphenyl)propan-1-amine
CID 107760277
N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine
CID 79333225

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine (CID 43489330) is N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine is CCNC(c1ccc(C)cc1)C(C)CC.
What is the InChIKey of N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine?
The InChIKey is PZJAOVXTJZATNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-12(4)14(15-6-2)13-9-7-11(3)8-10-13/h7-10,12,14-15H,5-6H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine?
N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine is sourced from PubChem (CID 43489330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).