N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine

C13H20ClNO — CID 65050293

IUPACN-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NCc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C13H20ClNO/c1-10(2)13(9-16-3)15-8-11-5-4-6-12(14)7-11/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyNQYLUMZNUPNTQP-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.10
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine

N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine (PubChem CID 65050293) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine
PubChem CID65050293
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC NameN-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NCc1cccc(Cl)c1)C(C)C
InChIInChI=1S/C13H20ClNO/c1-10(2)13(9-16-3)15-8-11-5-4-6-12(14)7-11/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyNQYLUMZNUPNTQP-UHFFFAOYSA-N
XLogP3.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-methylpentan-3-amine
CID 61468636
1-chloro-N-[(3-chlorophenyl)methyl]-4-methylpentan-3-amine
CID 106353845
1-methoxy-3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
CID 65047641
N-[(4-chloro-2-methylphenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 104854261
1-(3-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60819864
1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine
CID 65025963
N-[(3-chlorophenyl)methyl]heptan-4-amine
CID 63476473
(2S)-2-N-[(3-chlorophenyl)methyl]propane-1,2-diamine
CID 104867783
N-[3-(3-chlorophenyl)propyl]-1-methoxypropan-2-amine
CID 119139076
N-[(3-chlorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639887
1-(3-chlorophenyl)-N-methoxymethanamine
CID 60702249
2-[(3-chlorophenyl)methylamino]butan-1-ol
CID 4711843

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine (CID 65050293) is N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine is COCC(NCc1cccc(Cl)c1)C(C)C.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine?
The InChIKey is NQYLUMZNUPNTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-10(2)13(9-16-3)15-8-11-5-4-6-12(14)7-11/h4-7,10,13,15H,8-9H2,1-3H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine?
N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine has a molecular weight of 241.76 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 65050293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).