(2R)-N-[(3-chlorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)butan-2-amine

C15H20ClN3 — CID 95046964

IUPAC(2R)-N-[(3-chlorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)butan-2-amine
SMILESCC[C@@H](C)N(Cc1cccc(Cl)c1)Cc1ncc[nH]1
InChIInChI=1S/C15H20ClN3/c1-3-12(2)19(11-15-17-7-8-18-15)10-13-5-4-6-14(16)9-13/h4-9,12H,3,10-11H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyYFJWJSZBJUHXFV-GFCCVEGCSA-N
MW277.80 g/mol
LogP3.86
Rot. Bonds6

About (2R)-N-[(3-chlorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)butan-2-amine

(2R)-N-[(3-chlorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)butan-2-amine (PubChem CID 95046964) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is (2R)-N-[(3-chlorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(3-chlorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)butan-2-amine
PubChem CID95046964
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name(2R)-N-[(3-chlorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)butan-2-amine
SMILESCC[C@@H](C)N(Cc1cccc(Cl)c1)Cc1ncc[nH]1
InChIInChI=1S/C15H20ClN3/c1-3-12(2)19(11-15-17-7-8-18-15)10-13-5-4-6-14(16)9-13/h4-9,12H,3,10-11H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyYFJWJSZBJUHXFV-GFCCVEGCSA-N
XLogP3.86
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine
CID 59825984
N-[(3-chlorophenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 90144753
2-[[2-[(3-chlorophenyl)methylsulfanyl]phenyl]methyl]-1H-imidazole
CID 70637613
2-[2-chloro-2-(3-chlorophenyl)ethyl]-1H-imidazole
CID 61086064
3-bromo-N-[(3-chlorophenyl)methyl]-N-propan-2-ylpropan-1-amine
CID 80680513
N-[1-(3-chlorophenyl)-2-(1H-imidazol-2-yl)ethyl]propan-1-amine
CID 43498055
2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetonitrile
CID 51086725
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,2-diamine
CID 61416986
ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
CID 60775299
N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
1-N-[(3-chlorophenyl)methyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452340
N-ethyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 14627457

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-chlorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)butan-2-amine?
The IUPAC name of (2R)-N-[(3-chlorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)butan-2-amine (CID 95046964) is (2R)-N-[(3-chlorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)butan-2-amine.
What is the SMILES notation for (2R)-N-[(3-chlorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)butan-2-amine?
The canonical SMILES for (2R)-N-[(3-chlorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)butan-2-amine is CC[C@@H](C)N(Cc1cccc(Cl)c1)Cc1ncc[nH]1.
What is the InChIKey of (2R)-N-[(3-chlorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)butan-2-amine?
The InChIKey is YFJWJSZBJUHXFV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-3-12(2)19(11-15-17-7-8-18-15)10-13-5-4-6-14(16)9-13/h4-9,12H,3,10-11H2,1-2H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-N-[(3-chlorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)butan-2-amine?
(2R)-N-[(3-chlorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)butan-2-amine has a molecular weight of 277.80 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-chlorophenyl)methyl]-N-(1H-imidazol-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 95046964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).