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

C18H31NO — CID 62515207

IUPAC4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine
SMILESCCCCOCCC(CNCC)Cc1ccc(C)cc1
InChIInChI=1S/C18H31NO/c1-4-6-12-20-13-11-18(15-19-5-2)14-17-9-7-16(3)8-10-17/h7-10,18-19H,4-6,11-15H2,1-3H3
InChIKeyXXVHXKMLHXZQDQ-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.97
Rot. Bonds11

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

4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine (PubChem CID 62515207) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound Name4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine
PubChem CID62515207
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine
SMILESCCCCOCCC(CNCC)Cc1ccc(C)cc1
InChIInChI=1S/C18H31NO/c1-4-6-12-20-13-11-18(15-19-5-2)14-17-9-7-16(3)8-10-17/h7-10,18-19H,4-6,11-15H2,1-3H3
InChIKeyXXVHXKMLHXZQDQ-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine
CID 104649192
N-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine
CID 103984265
N-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine
CID 63522236
2-[(4-chlorophenyl)methyl]-5-ethoxy-N-ethylpentan-1-amine
CID 65180803
2-[(4-methoxyphenyl)methyl]-4-propoxy-N-propylbutan-1-amine
CID 106456658
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62516080
N-ethyl-2-[(3-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62516451
4-butoxy-2-[(4-chlorophenyl)methyl]butan-1-ol
CID 66058003
N-[2-[(4-methylphenyl)methyl]hexyl]cyclopropanamine
CID 63523137
N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine
CID 103183382
N-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine
CID 65488916
2-[(4-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 55083300

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine?
The IUPAC name of 4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine (CID 62515207) is 4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine.
What is the SMILES notation for 4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine?
The canonical SMILES for 4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine is CCCCOCCC(CNCC)Cc1ccc(C)cc1.
What is the InChIKey of 4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine?
The InChIKey is XXVHXKMLHXZQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-4-6-12-20-13-11-18(15-19-5-2)14-17-9-7-16(3)8-10-17/h7-10,18-19H,4-6,11-15H2,1-3H3.
What are the key properties of 4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine?
4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 3.97, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 62515207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).