N-[[4-(4-butylphenyl)phenyl]methyl]propan-2-amine

C20H27N — CID 63424967

IUPACN-[[4-(4-butylphenyl)phenyl]methyl]propan-2-amine
SMILESCCCCc1ccc(-c2ccc(CNC(C)C)cc2)cc1
InChIInChI=1S/C20H27N/c1-4-5-6-17-7-11-19(12-8-17)20-13-9-18(10-14-20)15-21-16(2)3/h7-14,16,21H,4-6,15H2,1-3H3
InChIKeyJRUNGWIEWSUUMK-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.19
Rot. Bonds7

About N-[[4-(4-butylphenyl)phenyl]methyl]propan-2-amine

N-[[4-(4-butylphenyl)phenyl]methyl]propan-2-amine (PubChem CID 63424967) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[[4-(4-butylphenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-butylphenyl)phenyl]methyl]propan-2-amine
PubChem CID63424967
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-[[4-(4-butylphenyl)phenyl]methyl]propan-2-amine
SMILESCCCCc1ccc(-c2ccc(CNC(C)C)cc2)cc1
InChIInChI=1S/C20H27N/c1-4-5-6-17-7-11-19(12-8-17)20-13-9-18(10-14-20)15-21-16(2)3/h7-14,16,21H,4-6,15H2,1-3H3
InChIKeyJRUNGWIEWSUUMK-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[5-(4-butylphenyl)furan-2-yl]methyl]propan-2-amine
CID 43624940
4-(4-butylphenyl)-N-propan-2-ylbutan-1-amine
CID 65305422
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204866
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
1-butyl-4-phenylbenzene;ethane
CID 143743409
N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine
CID 159134090
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-butylphenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(4-butylphenyl)phenyl]methyl]propan-2-amine (CID 63424967) is N-[[4-(4-butylphenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(4-butylphenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(4-butylphenyl)phenyl]methyl]propan-2-amine is CCCCc1ccc(-c2ccc(CNC(C)C)cc2)cc1.
What is the InChIKey of N-[[4-(4-butylphenyl)phenyl]methyl]propan-2-amine?
The InChIKey is JRUNGWIEWSUUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-5-6-17-7-11-19(12-8-17)20-13-9-18(10-14-20)15-21-16(2)3/h7-14,16,21H,4-6,15H2,1-3H3.
What are the key properties of N-[[4-(4-butylphenyl)phenyl]methyl]propan-2-amine?
N-[[4-(4-butylphenyl)phenyl]methyl]propan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-butylphenyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63424967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).