2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline

C16H23N3 — CID 66133336

IUPAC2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1ccccc1C(C)C
InChIInChI=1S/C16H23N3/c1-4-9-19-12-17-10-14(19)11-18-16-8-6-5-7-15(16)13(2)3/h5-8,10,12-13,18H,4,9,11H2,1-3H3
InChIKeyPEUKGHQMZZTCTA-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.03
Rot. Bonds6

About 2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline

2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline (PubChem CID 66133336) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
PubChem CID66133336
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline
SMILESCCCn1cncc1CNc1ccccc1C(C)C
InChIInChI=1S/C16H23N3/c1-4-9-19-12-17-10-14(19)11-18-16-8-6-5-7-15(16)13(2)3/h5-8,10,12-13,18H,4,9,11H2,1-3H3
InChIKeyPEUKGHQMZZTCTA-UHFFFAOYSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-iodo-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66135192
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66134768
2-(difluoromethylsulfanyl)-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66133125
2-fluoro-3-methyl-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 114254514
2-[2-[(3-propylimidazol-4-yl)methylamino]phenyl]sulfanylacetamide
CID 66130148
(1R)-1-(2-chlorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81377729
N-[(3-propylimidazol-4-yl)methyl]quinolin-8-amine
CID 66135184
N-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 66132713
2-methyl-3-[(3-propylimidazol-4-yl)methylamino]benzamide
CID 66130936
1,3-dimethyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
CID 102804515
1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130984
2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132507

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline?
The IUPAC name of 2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline (CID 66133336) is 2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline?
The canonical SMILES for 2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline is CCCn1cncc1CNc1ccccc1C(C)C.
What is the InChIKey of 2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline?
The InChIKey is PEUKGHQMZZTCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-9-19-12-17-10-14(19)11-18-16-8-6-5-7-15(16)13(2)3/h5-8,10,12-13,18H,4,9,11H2,1-3H3.
What are the key properties of 2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline?
2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline has a molecular weight of 257.38 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]aniline is sourced from PubChem (CID 66133336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).