1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol

C15H26N2O2 — CID 101292365

IUPAC1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol
SMILESCCCCOCC(O)CNCc1ccc(CN)cc1
InChIInChI=1S/C15H26N2O2/c1-2-3-8-19-12-15(18)11-17-10-14-6-4-13(9-16)5-7-14/h4-7,15,17-18H,2-3,8-12,16H2,1H3
InChIKeyJWOXMWAULGXISK-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.41
Rot. Bonds10

About 1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol

1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol (PubChem CID 101292365) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol.

Molecular Properties

Compound Name1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol
PubChem CID101292365
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol
SMILESCCCCOCC(O)CNCc1ccc(CN)cc1
InChIInChI=1S/C15H26N2O2/c1-2-3-8-19-12-15(18)11-17-10-14-6-4-13(9-16)5-7-14/h4-7,15,17-18H,2-3,8-12,16H2,1H3
InChIKeyJWOXMWAULGXISK-UHFFFAOYSA-N
XLogP1.41
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol
CID 107263166
1-butoxy-3-[[3-[[(3-butoxy-2-hydroxypropyl)amino]methyl]phenyl]methylamino]propan-2-ol
CID 101292349
1-butoxy-3-[(3-chlorophenyl)methylamino]propan-2-ol
CID 107262771
1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol
CID 60633945
1-(2-butoxyethoxy)-3-[(6-methyl-3-pyridinyl)methylamino]propan-2-ol
CID 60969174
1-(1,3-benzodioxol-5-ylmethylamino)-3-butoxypropan-2-ol
CID 107262785
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
1-hexoxy-3-[[3-(hydroxymethyl)phenyl]methylamino]propan-2-ol
CID 107230499
1-(2-ethoxyethoxy)-3-[(4-methylphenyl)methylamino]propan-2-ol
CID 60632375
4-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]phenol
CID 114331765
1-[(4-chlorophenyl)methylamino]-3-(4-methylpentoxy)propan-2-ol
CID 60632996
1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 62990978

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol?
The IUPAC name of 1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol (CID 101292365) is 1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol.
What is the SMILES notation for 1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol?
The canonical SMILES for 1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol is CCCCOCC(O)CNCc1ccc(CN)cc1.
What is the InChIKey of 1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol?
The InChIKey is JWOXMWAULGXISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-3-8-19-12-15(18)11-17-10-14-6-4-13(9-16)5-7-14/h4-7,15,17-18H,2-3,8-12,16H2,1H3.
What are the key properties of 1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol?
1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 1.41, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)phenyl]methylamino]-3-butoxypropan-2-ol is sourced from PubChem (CID 101292365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).