N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine

C13H18ClNO — CID 103653224

IUPACN-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
SMILESClc1ccc(CNCCOCC2CC2)cc1
InChIInChI=1S/C13H18ClNO/c14-13-5-3-11(4-6-13)9-15-7-8-16-10-12-1-2-12/h3-6,12,15H,1-2,7-10H2
InChIKeyRUJZSXWFIQRZJY-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.86
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine

N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine (PubChem CID 103653224) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
PubChem CID103653224
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
SMILESClc1ccc(CNCCOCC2CC2)cc1
InChIInChI=1S/C13H18ClNO/c14-13-5-3-11(4-6-13)9-15-7-8-16-10-12-1-2-12/h3-6,12,15H,1-2,7-10H2
InChIKeyRUJZSXWFIQRZJY-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.86
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

2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 103653259
N-[(4-bromophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
CID 115618403
N-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
CID 115618387
N-[(6-chloro-3-pyridinyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 115683686
N-[(4-bromo-3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103581710
N-benzyl-2-(oxan-4-ylmethoxy)ethanamine
CID 62585148
N-[(3-bromophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103653164
3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine
CID 103844888
N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine
CID 63448624
5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile
CID 103699306
3-(cyclopropylmethoxy)-N-[(4-prop-2-enoxyphenyl)methyl]propan-1-amine
CID 28719822
2-chloro-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-(propylaminomethyl)aniline
CID 81144926

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine (CID 103653224) is N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine is Clc1ccc(CNCCOCC2CC2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine?
The InChIKey is RUJZSXWFIQRZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-13-5-3-11(4-6-13)9-15-7-8-16-10-12-1-2-12/h3-6,12,15H,1-2,7-10H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine?
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine has a molecular weight of 239.75 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine is sourced from PubChem (CID 103653224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).