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

C12H19Cl2NO — CID 17293862

IUPACN-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
SMILESCCOCCCNCc1cccc(Cl)c1.Cl
InChIInChI=1S/C12H18ClNO.ClH/c1-2-15-8-4-7-14-10-11-5-3-6-12(13)9-11;/h3,5-6,9,14H,2,4,7-8,10H2,1H3;1H
InChIKeyIMAKSDMKTYRYAW-UHFFFAOYSA-N
MW264.20 g/mol
LogP3.28
Rot. Bonds7

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

N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride (PubChem CID 17293862) has the molecular formula C12H19Cl2NO and a molecular weight of 264.20 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
PubChem CID17293862
Molecular FormulaC12H19Cl2NO
Molecular Weight264.20 g/mol
Exact Mass263.08
IUPAC NameN-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
SMILESCCOCCCNCc1cccc(Cl)c1.Cl
InChIInChI=1S/C12H18ClNO.ClH/c1-2-15-8-4-7-14-10-11-5-3-6-12(13)9-11;/h3,5-6,9,14H,2,4,7-8,10H2,1H3;1H
InChIKeyIMAKSDMKTYRYAW-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 53.28
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-[(3-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584497
N-[(3-chlorophenyl)methyl]-2-undecoxyethanamine
CID 22091512
4-ethoxy-N-[(3-fluorophenyl)methyl]butan-1-amine
CID 115584501
N-[(3,4-dichlorophenyl)methyl]-3-ethoxypropan-1-amine
CID 4719417
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-ethoxypropan-1-amine
CID 4716403
N-[[3-[(3-chlorophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 65125794
N-[(3-chlorophenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 4712070
N-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
CID 115618387
2-chloro-N-[3-[(3-ethoxypropylamino)methyl]phenyl]benzamide
CID 27654549
1-(3-chlorophenyl)-5-ethoxy-N-propylpentan-2-amine
CID 105086143
4-ethoxy-N-(pyridin-3-ylmethyl)butan-1-amine;hydrochloride
CID 115584514
[1-(3-chlorophenyl)-5-ethoxypentan-2-yl]hydrazine
CID 105283444

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride (CID 17293862) is N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride is CCOCCCNCc1cccc(Cl)c1.Cl.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride?
The InChIKey is IMAKSDMKTYRYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO.ClH/c1-2-15-8-4-7-14-10-11-5-3-6-12(13)9-11;/h3,5-6,9,14H,2,4,7-8,10H2,1H3;1H.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride?
N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride has a molecular weight of 264.20 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride is sourced from PubChem (CID 17293862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).