N-(4-chlorophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine

C17H21ClN2O — CID 65385961

IUPACN-(4-chlorophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(CN)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H21ClN2O/c1-2-11-21-16-9-3-13(4-10-16)17(12-19)20-15-7-5-14(18)6-8-15/h3-10,17,20H,2,11-12,19H2,1H3
InChIKeyXHRBLJUUEIATEI-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.24
Rot. Bonds7

About N-(4-chlorophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine

N-(4-chlorophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine (PubChem CID 65385961) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
PubChem CID65385961
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-(4-chlorophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(CN)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H21ClN2O/c1-2-11-21-16-9-3-13(4-10-16)17(12-19)20-15-7-5-14(18)6-8-15/h3-10,17,20H,2,11-12,19H2,1H3
InChIKeyXHRBLJUUEIATEI-UHFFFAOYSA-N
XLogP4.24
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 65379159
N'-(4-chlorophenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54806067
4-chloro-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517333
N-(4-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine
CID 82131042
1-(4-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380164
N-(4-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 104822348
N-propan-2-yl-4-propoxyaniline
CID 21311809
N-[1-(4-chlorophenyl)butyl]-4-phenoxyaniline
CID 4712113
(4-butoxyphenyl)-(4-chlorophenyl)methanamine
CID 105076576
[(4-butoxyphenyl)-(4-chlorophenyl)methyl]hydrazine
CID 105281210
1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81145659
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-(4-chlorophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine (CID 65385961) is N-(4-chlorophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(4-chlorophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine is CCCOc1ccc(C(CN)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is XHRBLJUUEIATEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-2-11-21-16-9-3-13(4-10-16)17(12-19)20-15-7-5-14(18)6-8-15/h3-10,17,20H,2,11-12,19H2,1H3.
What are the key properties of N-(4-chlorophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
N-(4-chlorophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine has a molecular weight of 304.82 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(4-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65385961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).