N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine

C16H18ClNO — CID 43282998

IUPACN-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO/c1-12(2)18-11-13-3-7-15(8-4-13)19-16-9-5-14(17)6-10-16/h3-10,12,18H,11H2,1-2H3
InChIKeyFZTILQCMHOCFEU-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.63
Rot. Bonds5

About N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine

N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine (PubChem CID 43282998) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
PubChem CID43282998
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC NameN-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO/c1-12(2)18-11-13-3-7-15(8-4-13)19-16-9-5-14(17)6-10-16/h3-10,12,18H,11H2,1-2H3
InChIKeyFZTILQCMHOCFEU-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63553296
N-[[2-(4-chlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62297313
4-[4-[(propan-2-ylamino)methyl]phenoxy]benzamide
CID 43283523
N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80635290
N-[[4-(2-chloro-4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 63552019
N-[[2-chloro-6-(4-chlorophenoxy)phenyl]methyl]propan-2-amine
CID 43282977
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
N-[[4-(1-methylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116793098
1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine
CID 143625777
1-(2,4-dichlorophenyl)-N-[(4-phenoxyphenyl)methyl]ethanamine
CID 22483117
N-[[4-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283633
N-[[4-(4-chloro-2-methylphenoxy)-3-methylphenyl]methyl]propan-2-amine
CID 63552751

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine (CID 43282998) is N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is FZTILQCMHOCFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12(2)18-11-13-3-7-15(8-4-13)19-16-9-5-14(17)6-10-16/h3-10,12,18H,11H2,1-2H3.
What are the key properties of N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine?
N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine has a molecular weight of 275.78 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43282998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).