N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine

C15H24ClNO — CID 105013219

IUPACN-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)C)c1ccc(Cl)c(C)c1
InChIInChI=1S/C15H24ClNO/c1-5-8-17-15(10-18-11(2)3)13-6-7-14(16)12(4)9-13/h6-7,9,11,15,17H,5,8,10H2,1-4H3
InChIKeyAVLVPRLWSUIHCK-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.11
Rot. Bonds7

About N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine

N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine (PubChem CID 105013219) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine
PubChem CID105013219
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)C)c1ccc(Cl)c(C)c1
InChIInChI=1S/C15H24ClNO/c1-5-8-17-15(10-18-11(2)3)13-6-7-14(16)12(4)9-13/h6-7,9,11,15,17H,5,8,10H2,1-4H3
InChIKeyAVLVPRLWSUIHCK-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79575629
1-(4-chloro-3-methylphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028203
1-(4-chloro-3-methylphenyl)-N-propylheptan-1-amine
CID 115833499
1-(4-chloro-3-methylphenyl)-4-methoxy-N-propylbutan-1-amine
CID 105054934
1-(4-chloro-3-methylphenyl)-N-propylpent-3-yn-1-amine
CID 115819640
1-(4-chloro-3-methylphenyl)-N-propylpent-4-yn-1-amine
CID 115859351
1-(4-chloro-3-methylphenyl)-2-methyl-N-propylpropan-1-amine
CID 114978573
1-(3-bromo-4-chlorophenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 113337160
N-[1-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013061
1-(4-bromo-3-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105013094
1-(4-chloro-3-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024069
N-[1-(4-chloro-3-methylphenyl)-2-(furan-3-yl)ethyl]propan-1-amine
CID 105029948

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine?
The IUPAC name of N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine (CID 105013219) is N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine is CCCNC(COC(C)C)c1ccc(Cl)c(C)c1.
What is the InChIKey of N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine?
The InChIKey is AVLVPRLWSUIHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-5-8-17-15(10-18-11(2)3)13-6-7-14(16)12(4)9-13/h6-7,9,11,15,17H,5,8,10H2,1-4H3.
What are the key properties of N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine?
N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine is sourced from PubChem (CID 105013219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).