N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine

C15H23Cl2NO — CID 43515784

IUPACN-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
SMILESCCCCCOc1c(Cl)cc(Cl)cc1CNCCC
InChIInChI=1S/C15H23Cl2NO/c1-3-5-6-8-19-15-12(11-18-7-4-2)9-13(16)10-14(15)17/h9-10,18H,3-8,11H2,1-2H3
InChIKeyQJHOJWCWWPONTH-UHFFFAOYSA-N
MW304.26 g/mol
LogP5.06
Rot. Bonds9

About N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine

N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine (PubChem CID 43515784) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
PubChem CID43515784
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC NameN-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
SMILESCCCCCOc1c(Cl)cc(Cl)cc1CNCCC
InChIInChI=1S/C15H23Cl2NO/c1-3-5-6-8-19-15-12(11-18-7-4-2)9-13(16)10-14(15)17/h9-10,18H,3-8,11H2,1-2H3
InChIKeyQJHOJWCWWPONTH-UHFFFAOYSA-N
XLogP5.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.26
LogP ≤ 55.06
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

N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449939
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]heptan-1-amine
CID 4717568
1-(3,5-dichloro-2-heptoxyphenyl)-N-methylmethanamine
CID 43515702
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]cyclopropanamine
CID 43515859
3-butoxy-N-[(3,5-dichloro-2-ethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17207804
N-[(2-but-2-enoxy-3,5-dichlorophenyl)methyl]propan-1-amine
CID 76997604
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 29241701
1,3,5-trichloro-2-octadecoxybenzene
CID 20520413
1,3,5-trichloro-2-tetradecoxybenzene
CID 6429977
(3,5-dichloro-2-octoxyphenyl)methanamine
CID 43515616
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 35697832
N-[[3,5-dichloro-2-(3-fluoropropoxy)phenyl]methyl]ethanamine
CID 81107142

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine (CID 43515784) is N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine is CCCCCOc1c(Cl)cc(Cl)cc1CNCCC.
What is the InChIKey of N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine?
The InChIKey is QJHOJWCWWPONTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-3-5-6-8-19-15-12(11-18-7-4-2)9-13(16)10-14(15)17/h9-10,18H,3-8,11H2,1-2H3.
What are the key properties of N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine?
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine has a molecular weight of 304.26 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43515784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).