(5-chloro-2-hexoxy-3-methoxyphenyl)methanamine

C14H22ClNO2 — CID 104664304

IUPAC(5-chloro-2-hexoxy-3-methoxyphenyl)methanamine
SMILESCCCCCCOc1c(CN)cc(Cl)cc1OC
InChIInChI=1S/C14H22ClNO2/c1-3-4-5-6-7-18-14-11(10-16)8-12(15)9-13(14)17-2/h8-9H,3-7,10,16H2,1-2H3
InChIKeyMUFBIEVKCPRENP-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.77
Rot. Bonds8

About (5-chloro-2-hexoxy-3-methoxyphenyl)methanamine

(5-chloro-2-hexoxy-3-methoxyphenyl)methanamine (PubChem CID 104664304) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is (5-chloro-2-hexoxy-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-hexoxy-3-methoxyphenyl)methanamine
PubChem CID104664304
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name(5-chloro-2-hexoxy-3-methoxyphenyl)methanamine
SMILESCCCCCCOc1c(CN)cc(Cl)cc1OC
InChIInChI=1S/C14H22ClNO2/c1-3-4-5-6-7-18-14-11(10-16)8-12(15)9-13(14)17-2/h8-9H,3-7,10,16H2,1-2H3
InChIKeyMUFBIEVKCPRENP-UHFFFAOYSA-N
XLogP3.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.77
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

1-(bromomethyl)-5-chloro-2-hexoxy-3-methoxybenzene
CID 113438868
(5-chloro-3-methoxy-2-pentoxyphenyl)methanol
CID 113438830
1-(5-chloro-2-hexoxy-3-methoxyphenyl)propan-2-amine
CID 104667028
(3,5-dichloro-2-octoxyphenyl)methanamine
CID 43515616
[5-chloro-3-methoxy-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methanamine
CID 116615218
(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanamine
CID 104664287
5-chloro-2-heptoxy-3-methoxybenzoic acid
CID 104665678
4-[2-(aminomethyl)-4-chloro-6-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 104664012
(2-but-2-ynoxy-5-chloro-3-methoxyphenyl)methanamine
CID 104664143
6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol
CID 107702870
[5-chloro-3-methoxy-2-(3-methylbut-2-enoxy)phenyl]methanamine
CID 104664190
1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine
CID 104666968

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-hexoxy-3-methoxyphenyl)methanamine?
The IUPAC name of (5-chloro-2-hexoxy-3-methoxyphenyl)methanamine (CID 104664304) is (5-chloro-2-hexoxy-3-methoxyphenyl)methanamine.
What is the SMILES notation for (5-chloro-2-hexoxy-3-methoxyphenyl)methanamine?
The canonical SMILES for (5-chloro-2-hexoxy-3-methoxyphenyl)methanamine is CCCCCCOc1c(CN)cc(Cl)cc1OC.
What is the InChIKey of (5-chloro-2-hexoxy-3-methoxyphenyl)methanamine?
The InChIKey is MUFBIEVKCPRENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-3-4-5-6-7-18-14-11(10-16)8-12(15)9-13(14)17-2/h8-9H,3-7,10,16H2,1-2H3.
What are the key properties of (5-chloro-2-hexoxy-3-methoxyphenyl)methanamine?
(5-chloro-2-hexoxy-3-methoxyphenyl)methanamine has a molecular weight of 271.79 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-hexoxy-3-methoxyphenyl)methanamine is sourced from PubChem (CID 104664304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).