N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine

C14H22ClNO — CID 79575629

IUPACN-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-4-8-16-14(10-17-11(2)3)12-6-5-7-13(15)9-12/h5-7,9,11,14,16H,4,8,10H2,1-3H3
InChIKeyMKDDIPOCACQSDJ-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.81
Rot. Bonds7

About N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine

N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine (PubChem CID 79575629) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine
PubChem CID79575629
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)C)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-4-8-16-14(10-17-11(2)3)12-6-5-7-13(15)9-12/h5-7,9,11,14,16H,4,8,10H2,1-3H3
InChIKeyMKDDIPOCACQSDJ-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)-2-phenoxyethyl]propan-1-amine
CID 63416306
N-[1-(3-chlorophenyl)-2-(2-methoxyethoxy)ethyl]propan-1-amine
CID 114032690
N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine
CID 105013280
N-[1-(4-chloro-3-methylphenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013219
1-(3-chlorophenyl)-N-propylheptan-1-amine
CID 63412076
1-(3-chlorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63411991
1-(3-chlorophenyl)-N'-ethyl-N'-propan-2-yl-N-propylpropane-1,3-diamine
CID 63483276
N-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine
CID 105188000
N-[2-(4-bromophenyl)-1-(3-chlorophenyl)ethyl]propan-1-amine
CID 60819176
N-[1-(3-chlorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 60819521
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480
4-(3-chlorophenyl)-N-propylpentan-2-amine
CID 64721439

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine (CID 79575629) is N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine is CCCNC(COC(C)C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine?
The InChIKey is MKDDIPOCACQSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-8-16-14(10-17-11(2)3)12-6-5-7-13(15)9-12/h5-7,9,11,14,16H,4,8,10H2,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine?
N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine is sourced from PubChem (CID 79575629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).