2-(3-chloro-4-nonoxyphenyl)ethanamine

C17H28ClNO — CID 63421979

IUPAC2-(3-chloro-4-nonoxyphenyl)ethanamine
SMILESCCCCCCCCCOc1ccc(CCN)cc1Cl
InChIInChI=1S/C17H28ClNO/c1-2-3-4-5-6-7-8-13-20-17-10-9-15(11-12-19)14-16(17)18/h9-10,14H,2-8,11-13,19H2,1H3
InChIKeyATAQOZBBKVRIRJ-UHFFFAOYSA-N
MW297.87 g/mol
LogP4.97
Rot. Bonds11

About 2-(3-chloro-4-nonoxyphenyl)ethanamine

2-(3-chloro-4-nonoxyphenyl)ethanamine (PubChem CID 63421979) has the molecular formula C17H28ClNO and a molecular weight of 297.87 g/mol. Its IUPAC name is 2-(3-chloro-4-nonoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-nonoxyphenyl)ethanamine
PubChem CID63421979
Molecular FormulaC17H28ClNO
Molecular Weight297.87 g/mol
Exact Mass297.19
IUPAC Name2-(3-chloro-4-nonoxyphenyl)ethanamine
SMILESCCCCCCCCCOc1ccc(CCN)cc1Cl
InChIInChI=1S/C17H28ClNO/c1-2-3-4-5-6-7-8-13-20-17-10-9-15(11-12-19)14-16(17)18/h9-10,14H,2-8,11-13,19H2,1H3
InChIKeyATAQOZBBKVRIRJ-UHFFFAOYSA-N
XLogP4.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.87
LogP ≤ 54.97
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

(3-chloro-4-nonoxyphenyl)methanamine
CID 63404558
4-(3-chloro-4-nonoxyphenyl)butan-2-amine
CID 83951315
2-(4-methoxy-3-octoxyphenyl)ethanamine
CID 60905213
(3-chloro-4-nonoxyphenyl)methanol
CID 63533386
3-chloro-4-nonoxyaniline
CID 43129005
2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine
CID 81159937
2-(4-methoxy-3-pentoxyphenyl)ethanamine
CID 11096640
3-(3,4-didecoxyphenyl)propan-1-amine
CID 170867431
3-chloro-4-pentoxyaniline;hydrochloride
CID 134110655
N-[(3-chloro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63485646
2-[3-chloro-4-(3-methylbut-3-enoxy)phenyl]ethanamine
CID 114476300
2-chloro-1-propoxy-4-propylbenzene;ethane
CID 143012036

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-nonoxyphenyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-nonoxyphenyl)ethanamine (CID 63421979) is 2-(3-chloro-4-nonoxyphenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-nonoxyphenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-nonoxyphenyl)ethanamine is CCCCCCCCCOc1ccc(CCN)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-nonoxyphenyl)ethanamine?
The InChIKey is ATAQOZBBKVRIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClNO/c1-2-3-4-5-6-7-8-13-20-17-10-9-15(11-12-19)14-16(17)18/h9-10,14H,2-8,11-13,19H2,1H3.
What are the key properties of 2-(3-chloro-4-nonoxyphenyl)ethanamine?
2-(3-chloro-4-nonoxyphenyl)ethanamine has a molecular weight of 297.87 g/mol, XLogP of 4.97, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-nonoxyphenyl)ethanamine is sourced from PubChem (CID 63421979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).