N-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride

C13H19Cl2NO — CID 115618387

IUPACN-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
SMILESCl.Clc1cccc(CNCCOCC2CC2)c1
InChIInChI=1S/C13H18ClNO.ClH/c14-13-3-1-2-12(8-13)9-15-6-7-16-10-11-4-5-11;/h1-3,8,11,15H,4-7,9-10H2;1H
InChIKeyHUTHDNCEQVUJEU-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.28
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride

N-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride (PubChem CID 115618387) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
PubChem CID115618387
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
SMILESCl.Clc1cccc(CNCCOCC2CC2)c1
InChIInChI=1S/C13H18ClNO.ClH/c14-13-3-1-2-12(8-13)9-15-6-7-16-10-11-4-5-11;/h1-3,8,11,15H,4-7,9-10H2;1H
InChIKeyHUTHDNCEQVUJEU-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
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-bromophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103653164
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103653224
N-[(4-bromo-3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103581710
N-[(3-chlorophenyl)methyl]-2-undecoxyethanamine
CID 22091512
N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17293862
N-[(4-bromophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
CID 115618403
N-[(3-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584497
N-[(6-chloro-3-pyridinyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 115683686
2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 103653259
N-benzyl-2-(oxan-4-ylmethoxy)ethanamine
CID 62585148
3-chloro-N-[2-(cyclohexylmethoxy)ethyl]aniline
CID 63515430
3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine
CID 103844888

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride (CID 115618387) is N-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride is Cl.Clc1cccc(CNCCOCC2CC2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride?
The InChIKey is HUTHDNCEQVUJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO.ClH/c14-13-3-1-2-12(8-13)9-15-6-7-16-10-11-4-5-11;/h1-3,8,11,15H,4-7,9-10H2;1H.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride?
N-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride has a molecular weight of 276.21 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]-2-(cyclopropylmethoxy)ethanamine;hydrochloride is sourced from PubChem (CID 115618387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).