N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine

C17H29N — CID 63477867

IUPACN-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
SMILESCCCCc1ccc(C(C)NCC(C)CC)cc1
InChIInChI=1S/C17H29N/c1-5-7-8-16-9-11-17(12-10-16)15(4)18-13-14(3)6-2/h9-12,14-15,18H,5-8,13H2,1-4H3
InChIKeyDFVPRWQVFKIUMA-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.73
Rot. Bonds8

About N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine

N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine (PubChem CID 63477867) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
PubChem CID63477867
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
SMILESCCCCc1ccc(C(C)NCC(C)CC)cc1
InChIInChI=1S/C17H29N/c1-5-7-8-16-9-11-17(12-10-16)15(4)18-13-14(3)6-2/h9-12,14-15,18H,5-8,13H2,1-4H3
InChIKeyDFVPRWQVFKIUMA-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-butylphenyl)ethylamino]propan-2-ol
CID 43499262
N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 54922154
2-[1-(4-butylphenyl)ethylamino]-1-cyclopropylethanol
CID 63294725
2-methyl-3-methylsulfanyl-N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 63983664
1-[1-(4-butylphenyl)ethylamino]pentan-3-ol
CID 115729098
1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903436
N-[2-[1-(4-butylphenyl)ethylamino]ethyl]methanesulfonamide
CID 43208219
1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204866
N-[1-(4-butylphenyl)ethyl]-2-chloroprop-2-en-1-amine
CID 113464545
2-bromo-N-[1-(4-butylphenyl)ethyl]prop-2-en-1-amine
CID 113464993
N-[3-[1-(4-butylphenyl)ethylamino]propyl]methanesulfonamide
CID 103776555
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 81370465

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine?
The IUPAC name of N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine (CID 63477867) is N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine is CCCCc1ccc(C(C)NCC(C)CC)cc1.
What is the InChIKey of N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine?
The InChIKey is DFVPRWQVFKIUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-7-8-16-9-11-17(12-10-16)15(4)18-13-14(3)6-2/h9-12,14-15,18H,5-8,13H2,1-4H3.
What are the key properties of N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine?
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine is sourced from PubChem (CID 63477867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).