3-[3-[[(1Z)-1-amino-2,3-dimethylbuta-1,3-dienyl]amino]phenyl]propan-1-ol

C15H22N2O — CID 142838621

IUPAC3-[3-[[(1Z)-1-amino-2,3-dimethylbuta-1,3-dienyl]amino]phenyl]propan-1-ol
SMILESC=C(C)/C(C)=C(/N)Nc1cccc(CCCO)c1
InChIInChI=1S/C15H22N2O/c1-11(2)12(3)15(16)17-14-8-4-6-13(10-14)7-5-9-18/h4,6,8,10,17-18H,1,5,7,9,16H2,2-3H3/b15-12-
InChIKeyJTUJMEXAJWQFAH-QINSGFPZSA-N
MW246.35 g/mol
LogP2.79
Rot. Bonds6

About 3-[3-[[(1Z)-1-amino-2,3-dimethylbuta-1,3-dienyl]amino]phenyl]propan-1-ol

3-[3-[[(1Z)-1-amino-2,3-dimethylbuta-1,3-dienyl]amino]phenyl]propan-1-ol (PubChem CID 142838621) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[3-[[(1Z)-1-amino-2,3-dimethylbuta-1,3-dienyl]amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[[(1Z)-1-amino-2,3-dimethylbuta-1,3-dienyl]amino]phenyl]propan-1-ol
PubChem CID142838621
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[3-[[(1Z)-1-amino-2,3-dimethylbuta-1,3-dienyl]amino]phenyl]propan-1-ol
SMILESC=C(C)/C(C)=C(/N)Nc1cccc(CCCO)c1
InChIInChI=1S/C15H22N2O/c1-11(2)12(3)15(16)17-14-8-4-6-13(10-14)7-5-9-18/h4,6,8,10,17-18H,1,5,7,9,16H2,2-3H3/b15-12-
InChIKeyJTUJMEXAJWQFAH-QINSGFPZSA-N
XLogP2.79
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[3-(3-hydroxypropyl)phenyl]propanamide
CID 107905690
2,6-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
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3-amino-N-[3-(3-hydroxypropyl)phenyl]-2-methoxypropanamide
CID 114145186
2,3-dihydroxy-N-[3-(3-hydroxypropyl)phenyl]benzamide
CID 114344635
N-[3-(3-hydroxypropyl)phenyl]azetidine-3-carboxamide
CID 113397733
N-[3-(3-hydroxypropyl)phenyl]pent-4-ynamide
CID 114028588
3-(3-aminophenyl)propan-1-ol
CID 10103334
3-[3-(3-aminopropyl)phenyl]propan-1-ol
CID 42610454
3-ethyl-N-prop-1-en-2-ylaniline
CID 143032511
N-[3-(3-hydroxypropyl)phenyl]thiophene-3-carboxamide
CID 113372023
1-[3-(3-aminopropyl)phenyl]-3-methylurea
CID 89494810
2-amino-3-fluoro-N-[3-(3-hydroxypropyl)phenyl]pyridine-4-carboxamide
CID 105387248

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(1Z)-1-amino-2,3-dimethylbuta-1,3-dienyl]amino]phenyl]propan-1-ol?
The IUPAC name of 3-[3-[[(1Z)-1-amino-2,3-dimethylbuta-1,3-dienyl]amino]phenyl]propan-1-ol (CID 142838621) is 3-[3-[[(1Z)-1-amino-2,3-dimethylbuta-1,3-dienyl]amino]phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-[[(1Z)-1-amino-2,3-dimethylbuta-1,3-dienyl]amino]phenyl]propan-1-ol?
The canonical SMILES for 3-[3-[[(1Z)-1-amino-2,3-dimethylbuta-1,3-dienyl]amino]phenyl]propan-1-ol is C=C(C)/C(C)=C(/N)Nc1cccc(CCCO)c1.
What is the InChIKey of 3-[3-[[(1Z)-1-amino-2,3-dimethylbuta-1,3-dienyl]amino]phenyl]propan-1-ol?
The InChIKey is JTUJMEXAJWQFAH-QINSGFPZSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)12(3)15(16)17-14-8-4-6-13(10-14)7-5-9-18/h4,6,8,10,17-18H,1,5,7,9,16H2,2-3H3/b15-12-.
What are the key properties of 3-[3-[[(1Z)-1-amino-2,3-dimethylbuta-1,3-dienyl]amino]phenyl]propan-1-ol?
3-[3-[[(1Z)-1-amino-2,3-dimethylbuta-1,3-dienyl]amino]phenyl]propan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(1Z)-1-amino-2,3-dimethylbuta-1,3-dienyl]amino]phenyl]propan-1-ol is sourced from PubChem (CID 142838621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).