N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine

C16H23N3 — CID 63975815

IUPACN-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine
SMILESCCCn1ccnc1-c1ccc(CNC(C)C)cc1
InChIInChI=1S/C16H23N3/c1-4-10-19-11-9-17-16(19)15-7-5-14(6-8-15)12-18-13(2)3/h5-9,11,13,18H,4,10,12H2,1-3H3
InChIKeyDELNAOUKNMKFDI-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.46
Rot. Bonds6

About N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine

N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine (PubChem CID 63975815) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine
PubChem CID63975815
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine
SMILESCCCn1ccnc1-c1ccc(CNC(C)C)cc1
InChIInChI=1S/C16H23N3/c1-4-10-19-11-9-17-16(19)15-7-5-14(6-8-15)12-18-13(2)3/h5-9,11,13,18H,4,10,12H2,1-3H3
InChIKeyDELNAOUKNMKFDI-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]propan-2-amine
CID 63975608
N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
CID 63975816
N-propyl-1-[4-(1-propylimidazol-2-yl)phenyl]propan-1-amine
CID 63976027
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]propan-2-amine
CID 79738337
4-(1-propylimidazol-2-yl)benzaldehyde
CID 63975190
N-[1-[2-chloro-4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
CID 82772140
N-[[4-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63974152
N-[(4-imidazo[1,2-a]pyridin-5-ylphenyl)methyl]propan-2-amine
CID 102626371
N-methyl-2-[2-(4-methylphenyl)imidazol-1-yl]ethanamine
CID 82558989
N-[[2-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]propan-1-amine
CID 63975615
[3-(1-propylimidazol-2-yl)phenyl]methanamine
CID 63974354
N-[[4-(4-butylphenyl)phenyl]methyl]propan-2-amine
CID 63424967

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine (CID 63975815) is N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine is CCCn1ccnc1-c1ccc(CNC(C)C)cc1.
What is the InChIKey of N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine?
The InChIKey is DELNAOUKNMKFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-10-19-11-9-17-16(19)15-7-5-14(6-8-15)12-18-13(2)3/h5-9,11,13,18H,4,10,12H2,1-3H3.
What are the key properties of N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine?
N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63975815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).