(3,5-dichloro-2-octoxyphenyl)methanamine

C15H23Cl2NO — CID 43515616

IUPAC(3,5-dichloro-2-octoxyphenyl)methanamine
SMILESCCCCCCCCOc1c(Cl)cc(Cl)cc1CN
InChIInChI=1S/C15H23Cl2NO/c1-2-3-4-5-6-7-8-19-15-12(11-18)9-13(16)10-14(15)17/h9-10H,2-8,11,18H2,1H3
InChIKeyYZRMUBGMBRFMHN-UHFFFAOYSA-N
MW304.26 g/mol
LogP5.19
Rot. Bonds9

About (3,5-dichloro-2-octoxyphenyl)methanamine

(3,5-dichloro-2-octoxyphenyl)methanamine (PubChem CID 43515616) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is (3,5-dichloro-2-octoxyphenyl)methanamine.

Molecular Properties

Compound Name(3,5-dichloro-2-octoxyphenyl)methanamine
PubChem CID43515616
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name(3,5-dichloro-2-octoxyphenyl)methanamine
SMILESCCCCCCCCOc1c(Cl)cc(Cl)cc1CN
InChIInChI=1S/C15H23Cl2NO/c1-2-3-4-5-6-7-8-19-15-12(11-18)9-13(16)10-14(15)17/h9-10H,2-8,11,18H2,1H3
InChIKeyYZRMUBGMBRFMHN-UHFFFAOYSA-N
XLogP5.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.26
LogP ≤ 55.19
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-(3,5-dichloro-2-nonoxyphenyl)ethanamine
CID 63421467
1,3,5-trichloro-2-octadecoxybenzene
CID 20520413
1,3,5-trichloro-2-tetradecoxybenzene
CID 6429977
(5-chloro-2-hexoxy-3-methoxyphenyl)methanamine
CID 104664304
1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine
CID 43515702
3,5-dichloro-2-hexoxyaniline
CID 54853380
[3,5-dichloro-2-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine
CID 103409014
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
CID 43515784
4-[2-(aminomethyl)-4,6-dichlorophenoxy]butanenitrile
CID 60888481
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]cyclopropanamine
CID 43515859
4-[2-(aminomethyl)-4,6-dichlorophenoxy]-N-methylbutanamide
CID 63891161

Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-2-octoxyphenyl)methanamine?
The IUPAC name of (3,5-dichloro-2-octoxyphenyl)methanamine (CID 43515616) is (3,5-dichloro-2-octoxyphenyl)methanamine.
What is the SMILES notation for (3,5-dichloro-2-octoxyphenyl)methanamine?
The canonical SMILES for (3,5-dichloro-2-octoxyphenyl)methanamine is CCCCCCCCOc1c(Cl)cc(Cl)cc1CN.
What is the InChIKey of (3,5-dichloro-2-octoxyphenyl)methanamine?
The InChIKey is YZRMUBGMBRFMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-2-3-4-5-6-7-8-19-15-12(11-18)9-13(16)10-14(15)17/h9-10H,2-8,11,18H2,1H3.
What are the key properties of (3,5-dichloro-2-octoxyphenyl)methanamine?
(3,5-dichloro-2-octoxyphenyl)methanamine has a molecular weight of 304.26 g/mol, XLogP of 5.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-2-octoxyphenyl)methanamine is sourced from PubChem (CID 43515616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).