N-tert-butyl-2-[(4-ethylphenyl)methyl]-3-methylbutan-1-amine

C18H31N — CID 63522223

IUPACN-tert-butyl-2-[(4-ethylphenyl)methyl]-3-methylbutan-1-amine
SMILESCCc1ccc(CC(CNC(C)(C)C)C(C)C)cc1
InChIInChI=1S/C18H31N/c1-7-15-8-10-16(11-9-15)12-17(14(2)3)13-19-18(4,5)6/h8-11,14,17,19H,7,12-13H2,1-6H3
InChIKeyZFNXYCRDYXPIDO-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.45
Rot. Bonds6

About N-tert-butyl-2-[(4-ethylphenyl)methyl]-3-methylbutan-1-amine

N-tert-butyl-2-[(4-ethylphenyl)methyl]-3-methylbutan-1-amine (PubChem CID 63522223) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-tert-butyl-2-[(4-ethylphenyl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(4-ethylphenyl)methyl]-3-methylbutan-1-amine
PubChem CID63522223
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-tert-butyl-2-[(4-ethylphenyl)methyl]-3-methylbutan-1-amine
SMILESCCc1ccc(CC(CNC(C)(C)C)C(C)C)cc1
InChIInChI=1S/C18H31N/c1-7-15-8-10-16(11-9-15)12-17(14(2)3)13-19-18(4,5)6/h8-11,14,17,19H,7,12-13H2,1-6H3
InChIKeyZFNXYCRDYXPIDO-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-2-[(4-chlorophenyl)methyl]-3-methylbutan-1-amine
CID 63521505
N-tert-butyl-2-(furan-3-ylmethyl)-3-methylbutan-1-amine
CID 83182392
2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 62720263
N-[2-(4-ethylphenyl)-2-fluoroethyl]-2-methylpropan-2-amine
CID 107446790
N-tert-butyl-2-methyl-3-(4-methylphenyl)propan-1-amine
CID 62530089
2-[(2-bromo-4-fluorophenyl)methyl]-N-tert-butyl-3-methylbutan-1-amine
CID 63520977
N-tert-butyl-2-[(2-chloro-4-methylphenyl)methyl]-3-methylbutan-1-amine
CID 106869454
N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine
CID 107444584
N-tert-butyl-2-methyl-3-(4-propan-2-ylphenyl)propan-1-amine
CID 63496736
N-tert-butyl-4-ethylaniline
CID 58745565
N'-tert-butyl-N-[1-(4-ethylphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 107444712
2-[(4-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 55195646

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4-ethylphenyl)methyl]-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-[(4-ethylphenyl)methyl]-3-methylbutan-1-amine (CID 63522223) is N-tert-butyl-2-[(4-ethylphenyl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(4-ethylphenyl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(4-ethylphenyl)methyl]-3-methylbutan-1-amine is CCc1ccc(CC(CNC(C)(C)C)C(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[(4-ethylphenyl)methyl]-3-methylbutan-1-amine?
The InChIKey is ZFNXYCRDYXPIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-7-15-8-10-16(11-9-15)12-17(14(2)3)13-19-18(4,5)6/h8-11,14,17,19H,7,12-13H2,1-6H3.
What are the key properties of N-tert-butyl-2-[(4-ethylphenyl)methyl]-3-methylbutan-1-amine?
N-tert-butyl-2-[(4-ethylphenyl)methyl]-3-methylbutan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4-ethylphenyl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 63522223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).