(3-chloro-4-nonoxyphenyl)methanamine

C16H26ClNO — CID 63404558

IUPAC(3-chloro-4-nonoxyphenyl)methanamine
SMILESCCCCCCCCCOc1ccc(CN)cc1Cl
InChIInChI=1S/C16H26ClNO/c1-2-3-4-5-6-7-8-11-19-16-10-9-14(13-18)12-15(16)17/h9-10,12H,2-8,11,13,18H2,1H3
InChIKeyHJAHIIUFDFDBHD-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.93
Rot. Bonds10

About (3-chloro-4-nonoxyphenyl)methanamine

(3-chloro-4-nonoxyphenyl)methanamine (PubChem CID 63404558) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is (3-chloro-4-nonoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-nonoxyphenyl)methanamine
PubChem CID63404558
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name(3-chloro-4-nonoxyphenyl)methanamine
SMILESCCCCCCCCCOc1ccc(CN)cc1Cl
InChIInChI=1S/C16H26ClNO/c1-2-3-4-5-6-7-8-11-19-16-10-9-14(13-18)12-15(16)17/h9-10,12H,2-8,11,13,18H2,1H3
InChIKeyHJAHIIUFDFDBHD-UHFFFAOYSA-N
XLogP4.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.93
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-(3-chloro-4-nonoxyphenyl)ethanamine
CID 63421979
(3-chloro-4-nonoxyphenyl)methanol
CID 63533386
(3-bromo-4-pentoxyphenyl)methanamine
CID 63047212
(3-heptoxy-4-methoxyphenyl)methanamine
CID 43129051
3-chloro-4-nonoxyaniline
CID 43129005
4-(3-chloro-4-nonoxyphenyl)butan-2-amine
CID 83951315
N-[(3-chloro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63485646
N-[(3-chloro-4-heptoxyphenyl)methyl]propan-2-amine
CID 63500122
(4-methoxy-3-pentoxyphenyl)methanamine;hydrochloride
CID 19871589
O-[(4-butoxy-3-chlorophenyl)methyl]hydroxylamine
CID 13380966
3-chloro-4-pentoxyaniline;hydrochloride
CID 134110655
N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine
CID 63498871

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-nonoxyphenyl)methanamine?
The IUPAC name of (3-chloro-4-nonoxyphenyl)methanamine (CID 63404558) is (3-chloro-4-nonoxyphenyl)methanamine.
What is the SMILES notation for (3-chloro-4-nonoxyphenyl)methanamine?
The canonical SMILES for (3-chloro-4-nonoxyphenyl)methanamine is CCCCCCCCCOc1ccc(CN)cc1Cl.
What is the InChIKey of (3-chloro-4-nonoxyphenyl)methanamine?
The InChIKey is HJAHIIUFDFDBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-2-3-4-5-6-7-8-11-19-16-10-9-14(13-18)12-15(16)17/h9-10,12H,2-8,11,13,18H2,1H3.
What are the key properties of (3-chloro-4-nonoxyphenyl)methanamine?
(3-chloro-4-nonoxyphenyl)methanamine has a molecular weight of 283.84 g/mol, XLogP of 4.93, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-nonoxyphenyl)methanamine is sourced from PubChem (CID 63404558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).