2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine

C12H18ClNO2 — CID 18956682

IUPAC2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine
SMILESCCCOCc1ccc(OCCN)c(Cl)c1
InChIInChI=1S/C12H18ClNO2/c1-2-6-15-9-10-3-4-12(11(13)8-10)16-7-5-14/h3-4,8H,2,5-7,9,14H2,1H3
InChIKeySQAMYEPAKDTWPQ-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.60
Rot. Bonds7

About 2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine

2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine (PubChem CID 18956682) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine
PubChem CID18956682
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine
SMILESCCCOCc1ccc(OCCN)c(Cl)c1
InChIInChI=1S/C12H18ClNO2/c1-2-6-15-9-10-3-4-12(11(13)8-10)16-7-5-14/h3-4,8H,2,5-7,9,14H2,1H3
InChIKeySQAMYEPAKDTWPQ-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

2-[2-chloro-4-(2-methylpropoxymethyl)phenoxy]ethanamine
CID 86168423
O-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine
CID 13380966
2-(3-chloro-4-nonoxyphenyl)ethanamine
CID 63421979
2-chloro-1-propoxy-4-propylbenzene;ethane
CID 143012036
(3-chloro-4-nonoxyphenyl)methanamine
CID 63404558
methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate
CID 69211137
2-[2-[(3,4-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352780
1-(3-chloro-4-propoxyphenyl)-N-methylmethanamine;hydrochloride
CID 132843394
4-(3-chloro-4-propoxyphenyl)butan-2-amine
CID 83952879
1-(3-chloro-4-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890189
2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine
CID 81159937
2-(2-chloro-4-methoxyphenoxy)ethanamine;hydrochloride
CID 171150550

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine?
The IUPAC name of 2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine (CID 18956682) is 2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine.
What is the SMILES notation for 2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine?
The canonical SMILES for 2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine is CCCOCc1ccc(OCCN)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine?
The InChIKey is SQAMYEPAKDTWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-2-6-15-9-10-3-4-12(11(13)8-10)16-7-5-14/h3-4,8H,2,5-7,9,14H2,1H3.
What are the key properties of 2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine?
2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine 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 2-[2-chloro-4-(propoxymethyl)phenoxy]ethanamine is sourced from PubChem (CID 18956682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).