1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine

C11H16ClNO — CID 65025454

IUPAC1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine
SMILESCOc1cccc(CNC(C)CCl)c1
InChIInChI=1S/C11H16ClNO/c1-9(7-12)13-8-10-4-3-5-11(6-10)14-2/h3-6,9,13H,7-8H2,1-2H3
InChIKeyQTZNUQOXUJIGLI-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.41
Rot. Bonds5

About 1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine

1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine (PubChem CID 65025454) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine
PubChem CID65025454
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine
SMILESCOc1cccc(CNC(C)CCl)c1
InChIInChI=1S/C11H16ClNO/c1-9(7-12)13-8-10-4-3-5-11(6-10)14-2/h3-6,9,13H,7-8H2,1-2H3
InChIKeyQTZNUQOXUJIGLI-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-methoxy-N-[(3-methoxyphenyl)methyl]propan-2-amine
CID 781281
2-[(3-methoxyphenyl)methylamino]propan-1-ol
CID 43499761
3-[(3-methoxyphenyl)methylamino]butan-1-ol
CID 78998469
1-N-tert-butyl-2-N-[(3-methoxyphenyl)methyl]propane-1,2-diamine
CID 113407506
1-chloro-N-[(3-chlorophenyl)methyl]propan-2-amine
CID 65025963
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152
3-chloro-N-[(3-methoxyphenyl)methyl]-2-methylpropane-1-sulfonamide
CID 79585629
1-(2,3-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 103878320
methyl 2-[(3-methoxyphenyl)methylamino]-3-methylbutanoate
CID 60690958
(1S)-1-(furan-2-yl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81402590

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine?
The IUPAC name of 1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine (CID 65025454) is 1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for 1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine is COc1cccc(CNC(C)CCl)c1.
What is the InChIKey of 1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine?
The InChIKey is QTZNUQOXUJIGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-9(7-12)13-8-10-4-3-5-11(6-10)14-2/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine?
1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine has a molecular weight of 213.71 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(3-methoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 65025454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).