2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine

C14H21NO2 — CID 117343381

IUPAC2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
SMILESCOc1cc(C(C)CN)ccc1OCC1CC1
InChIInChI=1S/C14H21NO2/c1-10(8-15)12-5-6-13(14(7-12)16-2)17-9-11-3-4-11/h5-7,10-11H,3-4,8-9,15H2,1-2H3
InChIKeyKVNWVDARLZZUDA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.55
Rot. Bonds6

About 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine

2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine (PubChem CID 117343381) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
PubChem CID117343381
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine
SMILESCOc1cc(C(C)CN)ccc1OCC1CC1
InChIInChI=1S/C14H21NO2/c1-10(8-15)12-5-6-13(14(7-12)16-2)17-9-11-3-4-11/h5-7,10-11H,3-4,8-9,15H2,1-2H3
InChIKeyKVNWVDARLZZUDA-UHFFFAOYSA-N
XLogP2.55
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol
CID 117345325
2-[4-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-amine
CID 117320100
(1R)-1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 55191148
1-[4-(cyclopentylmethoxy)-3-methoxyphenyl]ethanamine
CID 61344621
1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-N-methylethanamine
CID 43560128
2-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-amine
CID 117499898
2-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]propan-1-amine
CID 117415732
(1S)-1-[3-methoxy-4-(oxan-4-ylmethoxy)phenyl]ethanol
CID 78931750
2-[3-methoxy-4-(thian-4-yloxy)phenyl]propan-1-amine
CID 117451975
(2R)-2-[3-(cyclopropylmethoxy)phenyl]propan-1-amine
CID 143948375
2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005127
2-[3-methoxy-4-(thiolan-3-yloxy)phenyl]propan-1-amine
CID 117422309

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine?
The IUPAC name of 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine (CID 117343381) is 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine.
What is the SMILES notation for 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine?
The canonical SMILES for 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine is COc1cc(C(C)CN)ccc1OCC1CC1.
What is the InChIKey of 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine?
The InChIKey is KVNWVDARLZZUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(8-15)12-5-6-13(14(7-12)16-2)17-9-11-3-4-11/h5-7,10-11H,3-4,8-9,15H2,1-2H3.
What are the key properties of 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine?
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-amine is sourced from PubChem (CID 117343381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).