N-benzyl-1-chloro-3-methylpentan-3-amine

C13H20ClN — CID 106167062

IUPACN-benzyl-1-chloro-3-methylpentan-3-amine
SMILESCCC(C)(CCCl)NCc1ccccc1
InChIInChI=1S/C13H20ClN/c1-3-13(2,9-10-14)15-11-12-7-5-4-6-8-12/h4-8,15H,3,9-11H2,1-2H3
InChIKeyZSWIVAMZVSLOAH-UHFFFAOYSA-N
MW225.76 g/mol
LogP3.57
Rot. Bonds6

About N-benzyl-1-chloro-3-methylpentan-3-amine

N-benzyl-1-chloro-3-methylpentan-3-amine (PubChem CID 106167062) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is N-benzyl-1-chloro-3-methylpentan-3-amine.

Molecular Properties

Compound NameN-benzyl-1-chloro-3-methylpentan-3-amine
PubChem CID106167062
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC NameN-benzyl-1-chloro-3-methylpentan-3-amine
SMILESCCC(C)(CCCl)NCc1ccccc1
InChIInChI=1S/C13H20ClN/c1-3-13(2,9-10-14)15-11-12-7-5-4-6-8-12/h4-8,15H,3,9-11H2,1-2H3
InChIKeyZSWIVAMZVSLOAH-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-methyl-N-(quinolin-2-ylmethyl)pentan-3-amine
CID 114152911
N-(1-chloro-3-methylpentan-3-yl)-2-phenylethanesulfonamide
CID 106170107
1-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpentan-3-amine
CID 106167289
1-chloro-N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpentan-3-amine
CID 106167439
[4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol
CID 103947270
N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine
CID 106328638
2-[4-[(3-methylpentan-3-ylamino)methyl]phenyl]acetic acid
CID 106330128
3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
CID 106328140
N-benzyl-2-methylnonan-2-amine
CID 54410414
2-N-benzyl-6,6,6-trifluoro-2-methylhexane-1,2-diamine
CID 116535346
2-[(3-methylpentan-3-ylamino)methyl]phenol
CID 115630759
N-benzyl-2-methyltridecan-2-amine;hydrochloride
CID 173095705

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-chloro-3-methylpentan-3-amine?
The IUPAC name of N-benzyl-1-chloro-3-methylpentan-3-amine (CID 106167062) is N-benzyl-1-chloro-3-methylpentan-3-amine.
What is the SMILES notation for N-benzyl-1-chloro-3-methylpentan-3-amine?
The canonical SMILES for N-benzyl-1-chloro-3-methylpentan-3-amine is CCC(C)(CCCl)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-chloro-3-methylpentan-3-amine?
The InChIKey is ZSWIVAMZVSLOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-3-13(2,9-10-14)15-11-12-7-5-4-6-8-12/h4-8,15H,3,9-11H2,1-2H3.
What are the key properties of N-benzyl-1-chloro-3-methylpentan-3-amine?
N-benzyl-1-chloro-3-methylpentan-3-amine has a molecular weight of 225.76 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-chloro-3-methylpentan-3-amine is sourced from PubChem (CID 106167062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).