N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine

C15H24ClNO — CID 63501502

IUPACN-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
SMILESCCC(C)COc1ccc(Cl)cc1CNC(C)C
InChIInChI=1S/C15H24ClNO/c1-5-12(4)10-18-15-7-6-14(16)8-13(15)9-17-11(2)3/h6-8,11-12,17H,5,9-10H2,1-4H3
InChIKeyKLDHPQKOMHHSRA-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.26
Rot. Bonds7

About N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine

N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine (PubChem CID 63501502) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
PubChem CID63501502
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
SMILESCCC(C)COc1ccc(Cl)cc1CNC(C)C
InChIInChI=1S/C15H24ClNO/c1-5-12(4)10-18-15-7-6-14(16)8-13(15)9-17-11(2)3/h6-8,11-12,17H,5,9-10H2,1-4H3
InChIKeyKLDHPQKOMHHSRA-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-chloro-2-(2,2-difluoroethoxy)phenyl]methyl]propan-2-amine
CID 54939567
N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine
CID 43278029
1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105520
N-[(2-but-2-ynoxy-5-chlorophenyl)methyl]propan-2-amine
CID 62310320
N-[[5-chloro-2-(2-propylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 106722012
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]acetic acid
CID 102535929
N-[[5-chloro-2-(2,3-dichloroprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 79167603
N-[[5-chloro-2-(2-methylpentoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63487208
N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 61491521
N-[[3-ethoxy-4-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 62103258
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methyl]propan-2-amine
CID 63501318
(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 51990119

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine (CID 63501502) is N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine is CCC(C)COc1ccc(Cl)cc1CNC(C)C.
What is the InChIKey of N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine?
The InChIKey is KLDHPQKOMHHSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-5-12(4)10-18-15-7-6-14(16)8-13(15)9-17-11(2)3/h6-8,11-12,17H,5,9-10H2,1-4H3.
What are the key properties of N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine?
N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63501502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).