(2-amino-3,4-dipropylphenyl)-phenylmethanone

C19H23NO — CID 154351124

IUPAC(2-amino-3,4-dipropylphenyl)-phenylmethanone
SMILESCCCc1ccc(C(=O)c2ccccc2)c(N)c1CCC
InChIInChI=1S/C19H23NO/c1-3-8-14-12-13-17(18(20)16(14)9-4-2)19(21)15-10-6-5-7-11-15/h5-7,10-13H,3-4,8-9,20H2,1-2H3
InChIKeyMWWZEMLDYVMSNQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.40
Rot. Bonds6

About (2-amino-3,4-dipropylphenyl)-phenylmethanone

(2-amino-3,4-dipropylphenyl)-phenylmethanone (PubChem CID 154351124) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (2-amino-3,4-dipropylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-3,4-dipropylphenyl)-phenylmethanone
PubChem CID154351124
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(2-amino-3,4-dipropylphenyl)-phenylmethanone
SMILESCCCc1ccc(C(=O)c2ccccc2)c(N)c1CCC
InChIInChI=1S/C19H23NO/c1-3-8-14-12-13-17(18(20)16(14)9-4-2)19(21)15-10-6-5-7-11-15/h5-7,10-13H,3-4,8-9,20H2,1-2H3
InChIKeyMWWZEMLDYVMSNQ-UHFFFAOYSA-N
XLogP4.40
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2,3-dipropylphenyl)-phenylmethanone
CID 23045952
phenyl-(2,3,4,5-tetrapropylphenyl)methanone
CID 134864036
(2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone
CID 23109143
(2-benzoyl-3,4-diethylphenyl)-phenylmethanone
CID 175879744
(2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone
CID 86122742
(2,4-diamino-3-benzoylphenyl)-phenylmethanone
CID 70481575
4-[(4-benzoyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid
CID 15682702
2-amino-3-hydroxy-4-propylbenzoic acid
CID 12532264
N-benzoyl-2,3-dipropylbenzamide
CID 175499264
azane;3,4-dipropylbenzene-1,2-diamine
CID 22352094
2-[4-[2-(3-amino-2,4-dipropylphenyl)ethyl]anilino]benzoic acid
CID 174453646
diphenylmethanone;propan-1-amine
CID 174497329

Frequently Asked Questions

What is the IUPAC name of (2-amino-3,4-dipropylphenyl)-phenylmethanone?
The IUPAC name of (2-amino-3,4-dipropylphenyl)-phenylmethanone (CID 154351124) is (2-amino-3,4-dipropylphenyl)-phenylmethanone.
What is the SMILES notation for (2-amino-3,4-dipropylphenyl)-phenylmethanone?
The canonical SMILES for (2-amino-3,4-dipropylphenyl)-phenylmethanone is CCCc1ccc(C(=O)c2ccccc2)c(N)c1CCC.
What is the InChIKey of (2-amino-3,4-dipropylphenyl)-phenylmethanone?
The InChIKey is MWWZEMLDYVMSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-3-8-14-12-13-17(18(20)16(14)9-4-2)19(21)15-10-6-5-7-11-15/h5-7,10-13H,3-4,8-9,20H2,1-2H3.
What are the key properties of (2-amino-3,4-dipropylphenyl)-phenylmethanone?
(2-amino-3,4-dipropylphenyl)-phenylmethanone has a molecular weight of 281.40 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3,4-dipropylphenyl)-phenylmethanone is sourced from PubChem (CID 154351124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).