N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride

C11H17Cl2NO — CID 17206437

IUPACN-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride
SMILESCOCCCNCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C11H16ClNO.ClH/c1-14-8-2-7-13-9-10-3-5-11(12)6-4-10;/h3-6,13H,2,7-9H2,1H3;1H
InChIKeyMBZKKLRSIHGKIE-UHFFFAOYSA-N
MW250.17 g/mol
LogP2.89
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride

N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride (PubChem CID 17206437) has the molecular formula C11H17Cl2NO and a molecular weight of 250.17 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride
PubChem CID17206437
Molecular FormulaC11H17Cl2NO
Molecular Weight250.17 g/mol
Exact Mass249.07
IUPAC NameN-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride
SMILESCOCCCNCc1ccc(Cl)cc1.Cl
InChIInChI=1S/C11H16ClNO.ClH/c1-14-8-2-7-13-9-10-3-5-11(12)6-4-10;/h3-6,13H,2,7-9H2,1H3;1H
InChIKeyMBZKKLRSIHGKIE-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17206435
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CID 131985015
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3-[(4-chlorophenyl)methylamino]propyl 2-methoxyacetate
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N-[(4-chloro-3-methylphenyl)methyl]-3-methoxypropan-1-amine
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N'-[(4-chlorophenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215378
3-methoxy-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 83962726
3-methoxy-N-[(4-methylsulfinylphenyl)methyl]propan-1-amine
CID 115685471
3-[(4-chlorophenyl)methoxy]-N-(2-methoxyethyl)propan-1-amine
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N-[(4-chlorophenyl)methyl]-3-(1,1,2,2,2-pentafluoroethoxy)propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride (CID 17206437) is N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride is COCCCNCc1ccc(Cl)cc1.Cl.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride?
The InChIKey is MBZKKLRSIHGKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO.ClH/c1-14-8-2-7-13-9-10-3-5-11(12)6-4-10;/h3-6,13H,2,7-9H2,1H3;1H.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride?
N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride has a molecular weight of 250.17 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-methoxypropan-1-amine;hydrochloride is sourced from PubChem (CID 17206437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).