[4-chloro-2-(2-propoxyethoxy)phenyl]methanamine

C12H18ClNO2 — CID 63686142

IUPAC[4-chloro-2-(2-propoxyethoxy)phenyl]methanamine
SMILESCCCOCCOc1cc(Cl)ccc1CN
InChIInChI=1S/C12H18ClNO2/c1-2-5-15-6-7-16-12-8-11(13)4-3-10(12)9-14/h3-4,8H,2,5-7,9,14H2,1H3
InChIKeyMUHDATXFGPLKCB-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.60
Rot. Bonds7

About [4-chloro-2-(2-propoxyethoxy)phenyl]methanamine

[4-chloro-2-(2-propoxyethoxy)phenyl]methanamine (PubChem CID 63686142) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is [4-chloro-2-(2-propoxyethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-chloro-2-(2-propoxyethoxy)phenyl]methanamine
PubChem CID63686142
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name[4-chloro-2-(2-propoxyethoxy)phenyl]methanamine
SMILESCCCOCCOc1cc(Cl)ccc1CN
InChIInChI=1S/C12H18ClNO2/c1-2-5-15-6-7-16-12-8-11(13)4-3-10(12)9-14/h3-4,8H,2,5-7,9,14H2,1H3
InChIKeyMUHDATXFGPLKCB-UHFFFAOYSA-N
XLogP2.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-chloro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559812
4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide
CID 55233057
[4-chloro-2-[(4-ethylphenyl)methoxy]phenyl]methanamine
CID 114322356
4-chloro-2-(2-ethoxyethoxy)aniline
CID 62306206
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
2-[5-chloro-2-(2-ethoxyethoxy)phenyl]ethanamine
CID 60906110
5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684928
[4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 55179828
[4-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 114322345
2,4-dichloro-1-(propoxymethyl)benzene
CID 527851
[5-chloro-2-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methanamine
CID 20994270
6-[2-(aminomethyl)-5-propoxyphenoxy]hexan-1-ol
CID 107702428

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(2-propoxyethoxy)phenyl]methanamine?
The IUPAC name of [4-chloro-2-(2-propoxyethoxy)phenyl]methanamine (CID 63686142) is [4-chloro-2-(2-propoxyethoxy)phenyl]methanamine.
What is the SMILES notation for [4-chloro-2-(2-propoxyethoxy)phenyl]methanamine?
The canonical SMILES for [4-chloro-2-(2-propoxyethoxy)phenyl]methanamine is CCCOCCOc1cc(Cl)ccc1CN.
What is the InChIKey of [4-chloro-2-(2-propoxyethoxy)phenyl]methanamine?
The InChIKey is MUHDATXFGPLKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-2-5-15-6-7-16-12-8-11(13)4-3-10(12)9-14/h3-4,8H,2,5-7,9,14H2,1H3.
What are the key properties of [4-chloro-2-(2-propoxyethoxy)phenyl]methanamine?
[4-chloro-2-(2-propoxyethoxy)phenyl]methanamine has a molecular weight of 243.73 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(2-propoxyethoxy)phenyl]methanamine is sourced from PubChem (CID 63686142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).