N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine

C14H22ClNO — CID 43278029

IUPACN-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine
SMILESCCCCOc1ccc(Cl)cc1CNC(C)C
InChIInChI=1S/C14H22ClNO/c1-4-5-8-17-14-7-6-13(15)9-12(14)10-16-11(2)3/h6-7,9,11,16H,4-5,8,10H2,1-3H3
InChIKeySULYVIUNIQSXOD-UHFFFAOYSA-N
MW255.79 g/mol
LogP4.02
Rot. Bonds7

About N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine

N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine (PubChem CID 43278029) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine
PubChem CID43278029
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine
SMILESCCCCOc1ccc(Cl)cc1CNC(C)C
InChIInChI=1S/C14H22ClNO/c1-4-5-8-17-14-7-6-13(15)9-12(14)10-16-11(2)3/h6-7,9,11,16H,4-5,8,10H2,1-3H3
InChIKeySULYVIUNIQSXOD-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 54.02
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-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 106722012
N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 63501502
N-[[5-chloro-2-(2,2-difluoroethoxy)phenyl]methyl]propan-2-amine
CID 54939567
N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 61491521
N-[(5-chloro-2-heptoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63486010
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]acetic acid
CID 102535929
N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]propan-2-amine
CID 62310320
N-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine
CID 106659183
N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine
CID 29224434
N-[[5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 79167603
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
N-[[5-chloro-2-(4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 114855675

Frequently Asked Questions

What is the IUPAC name of N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine (CID 43278029) is N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine is CCCCOc1ccc(Cl)cc1CNC(C)C.
What is the InChIKey of N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine?
The InChIKey is SULYVIUNIQSXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-5-8-17-14-7-6-13(15)9-12(14)10-16-11(2)3/h6-7,9,11,16H,4-5,8,10H2,1-3H3.
What are the key properties of N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine?
N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 43278029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).