N-[(3-chlorophenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine

C15H20ClN3 — CID 134707839

IUPACN-[(3-chlorophenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCN(Cc1cccc(Cl)c1)Cc1ccnn1C
InChIInChI=1S/C15H20ClN3/c1-3-9-19(12-15-7-8-17-18(15)2)11-13-5-4-6-14(16)10-13/h4-8,10H,3,9,11-12H2,1-2H3
InChIKeyRGPYRYIGEWJSDZ-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.49
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine

N-[(3-chlorophenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 134707839) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID134707839
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC NameN-[(3-chlorophenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCN(Cc1cccc(Cl)c1)Cc1ccnn1C
InChIInChI=1S/C15H20ClN3/c1-3-9-19(12-15-7-8-17-18(15)2)11-13-5-4-6-14(16)10-13/h4-8,10H,3,9,11-12H2,1-2H3
InChIKeyRGPYRYIGEWJSDZ-UHFFFAOYSA-N
XLogP3.49
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-ethylethanamine
CID 21325551
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CID 103009058
2-[(3-chlorophenyl)methyl-ethylamino]ethanol
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2-bromo-N-(2-bromoethyl)-N-[(3-chlorophenyl)methyl]ethanamine
CID 46934127
N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79715336
N-[(3-chlorophenyl)methyl]-2-(1,2,4-triazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
CID 46934268
N-(2-bromoethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103015265
N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine
CID 60684600
3-[[3-(3-chlorophenyl)prop-2-ynyl-propylamino]methyl]phenol
CID 139688363
N-[(3-chlorophenyl)methyl]-N-ethyl-2-methylsulfanylethanamine
CID 112829058
3-[[(1-methylpyrazol-4-yl)methyl-propylamino]methyl]aniline
CID 55041381
3-[[(2,4-dichlorophenyl)methyl-propylamino]methyl]aniline
CID 43459758

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine (CID 134707839) is N-[(3-chlorophenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine is CCCN(Cc1cccc(Cl)c1)Cc1ccnn1C.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is RGPYRYIGEWJSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-3-9-19(12-15-7-8-17-18(15)2)11-13-5-4-6-14(16)10-13/h4-8,10H,3,9,11-12H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine?
N-[(3-chlorophenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 277.80 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 134707839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).