(Z)-1-phenylethene-1,2-diamine;1-phenylmethoxybutan-2-amine

C19H27N3O — CID 143293123

IUPAC(Z)-1-phenylethene-1,2-diamine;1-phenylmethoxybutan-2-amine
SMILESCCC(N)COCc1ccccc1.N/C=C(\N)c1ccccc1
InChIInChI=1S/C11H17NO.C8H10N2/c1-2-11(12)9-13-8-10-6-4-3-5-7-10;9-6-8(10)7-4-2-1-3-5-7/h3-7,11H,2,8-9,12H2,1H3;1-6H,9-10H2/b;8-6-
InChIKeyGAGBRMISDQPSRP-SEUOEIGTSA-N
MW313.45 g/mol
LogP2.84
Rot. Bonds6

About (Z)-1-phenylethene-1,2-diamine;1-phenylmethoxybutan-2-amine

(Z)-1-phenylethene-1,2-diamine;1-phenylmethoxybutan-2-amine (PubChem CID 143293123) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is (Z)-1-phenylethene-1,2-diamine;1-phenylmethoxybutan-2-amine.

Molecular Properties

Compound Name(Z)-1-phenylethene-1,2-diamine;1-phenylmethoxybutan-2-amine
PubChem CID143293123
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name(Z)-1-phenylethene-1,2-diamine;1-phenylmethoxybutan-2-amine
SMILESCCC(N)COCc1ccccc1.N/C=C(\N)c1ccccc1
InChIInChI=1S/C11H17NO.C8H10N2/c1-2-11(12)9-13-8-10-6-4-3-5-7-10;9-6-8(10)7-4-2-1-3-5-7/h3-7,11H,2,8-9,12H2,1H3;1-6H,9-10H2/b;8-6-
InChIKeyGAGBRMISDQPSRP-SEUOEIGTSA-N
XLogP2.84
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methoxy]butan-2-amine
CID 22448356
(2R)-1-[(4-fluorophenyl)methoxy]butan-2-amine
CID 95964424
1-phenyl-3-phenylmethoxypropan-2-amine
CID 12815227
4-methyl-1-phenylmethoxypentan-2-amine
CID 13228785
(2S)-4-methyl-1-phenylmethoxypentan-2-amine
CID 13228786
3-(2-aminobutoxymethyl)aniline
CID 57007296
(2S)-1-[(3-methylphenyl)methoxy]butan-2-amine
CID 97057916
(2S)-2-amino-3-phenylmethoxypropane-1-thiol
CID 87876386
ethyl 4-(2-aminobutoxymethyl)benzoate
CID 82352941
(2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane
CID 158419681
(4S)-4-amino-5-phenylmethoxypentanamide
CID 90463454
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242

Frequently Asked Questions

What is the IUPAC name of (Z)-1-phenylethene-1,2-diamine;1-phenylmethoxybutan-2-amine?
The IUPAC name of (Z)-1-phenylethene-1,2-diamine;1-phenylmethoxybutan-2-amine (CID 143293123) is (Z)-1-phenylethene-1,2-diamine;1-phenylmethoxybutan-2-amine.
What is the SMILES notation for (Z)-1-phenylethene-1,2-diamine;1-phenylmethoxybutan-2-amine?
The canonical SMILES for (Z)-1-phenylethene-1,2-diamine;1-phenylmethoxybutan-2-amine is CCC(N)COCc1ccccc1.N/C=C(\N)c1ccccc1.
What is the InChIKey of (Z)-1-phenylethene-1,2-diamine;1-phenylmethoxybutan-2-amine?
The InChIKey is GAGBRMISDQPSRP-SEUOEIGTSA-N. The full InChI is InChI=1S/C11H17NO.C8H10N2/c1-2-11(12)9-13-8-10-6-4-3-5-7-10;9-6-8(10)7-4-2-1-3-5-7/h3-7,11H,2,8-9,12H2,1H3;1-6H,9-10H2/b;8-6-.
What are the key properties of (Z)-1-phenylethene-1,2-diamine;1-phenylmethoxybutan-2-amine?
(Z)-1-phenylethene-1,2-diamine;1-phenylmethoxybutan-2-amine has a molecular weight of 313.45 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-phenylethene-1,2-diamine;1-phenylmethoxybutan-2-amine is sourced from PubChem (CID 143293123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).