1-N,1-N-diethyl-4-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pentane-1,4-diamine

C24H36N2O2 — CID 42695355

IUPAC1-N,1-N-diethyl-4-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C24H36N2O2/c1-5-26(6-2)16-10-11-20(3)25-18-22-14-15-23(27-4)24(17-22)28-19-21-12-8-7-9-13-21/h7-9,12-15,17,20,25H,5-6,10-11,16,18-19H2,1-4H3
InChIKeyNIVVUGQUQZCPFQ-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.87
Rot. Bonds13

About 1-N,1-N-diethyl-4-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pentane-1,4-diamine

1-N,1-N-diethyl-4-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pentane-1,4-diamine (PubChem CID 42695355) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pentane-1,4-diamine
PubChem CID42695355
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Name1-N,1-N-diethyl-4-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1ccc(OC)c(OCc2ccccc2)c1
InChIInChI=1S/C24H36N2O2/c1-5-26(6-2)16-10-11-20(3)25-18-22-14-15-23(27-4)24(17-22)28-19-21-12-8-7-9-13-21/h7-9,12-15,17,20,25H,5-6,10-11,16,18-19H2,1-4H3
InChIKeyNIVVUGQUQZCPFQ-UHFFFAOYSA-N
XLogP4.87
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pentane-1,4-diamine (CID 42695355) is 1-N,1-N-diethyl-4-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pentane-1,4-diamine is CCN(CC)CCCC(C)NCc1ccc(OC)c(OCc2ccccc2)c1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pentane-1,4-diamine?
The InChIKey is NIVVUGQUQZCPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2/c1-5-26(6-2)16-10-11-20(3)25-18-22-14-15-23(27-4)24(17-22)28-19-21-12-8-7-9-13-21/h7-9,12-15,17,20,25H,5-6,10-11,16,18-19H2,1-4H3.
What are the key properties of 1-N,1-N-diethyl-4-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pentane-1,4-diamine has a molecular weight of 384.56 g/mol, XLogP of 4.87, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 42695355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).