2-(4-methoxyphenyl)propane-1,3-diamine

C10H16N2O — CID 20546608

IUPAC2-(4-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccc(C(CN)CN)cc1
InChIInChI=1S/C10H16N2O/c1-13-10-4-2-8(3-5-10)9(6-11)7-12/h2-5,9H,6-7,11-12H2,1H3
InChIKeyADDUWVYHKVLPCB-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.70
Rot. Bonds4

About 2-(4-methoxyphenyl)propane-1,3-diamine

2-(4-methoxyphenyl)propane-1,3-diamine (PubChem CID 20546608) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)propane-1,3-diamine
PubChem CID20546608
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(4-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccc(C(CN)CN)cc1
InChIInChI=1S/C10H16N2O/c1-13-10-4-2-8(3-5-10)9(6-11)7-12/h2-5,9H,6-7,11-12H2,1H3
InChIKeyADDUWVYHKVLPCB-UHFFFAOYSA-N
XLogP0.70
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
(2S)-3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 46911827
3-amino-2-(4-methoxyphenyl)propan-1-ol
CID 75251632
2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 117245021
2-(4-methoxyphenyl)pent-4-yn-1-amine
CID 84752978
2-(4-methoxyphenyl)-N',N'-dipropylpropane-1,3-diamine
CID 82107529
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83972538
2-(4-methoxyphenyl)-4-pyridin-4-ylbutan-1-amine
CID 112509074
2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol
CID 117244895
2-(4-methoxyphenyl)-3-pyrazol-1-ylpropan-1-amine
CID 115038406
1-amino-4-ethyl-2-(4-methoxyphenyl)hexan-3-ol
CID 65185548

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of 2-(4-methoxyphenyl)propane-1,3-diamine (CID 20546608) is 2-(4-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for 2-(4-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for 2-(4-methoxyphenyl)propane-1,3-diamine is COc1ccc(C(CN)CN)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)propane-1,3-diamine?
The InChIKey is ADDUWVYHKVLPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-13-10-4-2-8(3-5-10)9(6-11)7-12/h2-5,9H,6-7,11-12H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)propane-1,3-diamine?
2-(4-methoxyphenyl)propane-1,3-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 20546608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).