2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine

C17H26FNO — CID 106930625

IUPAC2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(COCC1CC1)Cc1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-13(2)19-10-16(12-20-11-15-3-4-15)9-14-5-7-17(18)8-6-14/h5-8,13,15-16,19H,3-4,9-12H2,1-2H3
InChIKeyCLQKEVRANNRCFF-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.41
Rot. Bonds9

About 2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine

2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine (PubChem CID 106930625) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
PubChem CID106930625
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(COCC1CC1)Cc1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-13(2)19-10-16(12-20-11-15-3-4-15)9-14-5-7-17(18)8-6-14/h5-8,13,15-16,19H,3-4,9-12H2,1-2H3
InChIKeyCLQKEVRANNRCFF-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 106930624
N-[2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propyl]cyclopropanamine
CID 106930639
2-[(4-fluorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 65166335
2-benzyl-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 113361817
2-[(4-fluorophenyl)methyl]-5-methoxy-5-methyl-N-propan-2-ylhexan-1-amine
CID 103036686
N-[3-(cyclopropylmethoxy)-2-(4-fluorophenyl)propyl]-2-methylpropan-1-amine
CID 106930893
2-[(4-fluorophenyl)methyl]-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 115979345
2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-ol
CID 106931287
2-(cyclopentylmethyl)-3-(4-methoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 63523515
1-(cyclopropylmethoxymethyl)-4-(2-methylpropyl)benzene
CID 146471368
2-(cyclopropylmethoxymethyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 106930678
2-(1,1-dioxothiolan-3-yl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 62529651

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine (CID 106930625) is 2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine is CC(C)NCC(COCC1CC1)Cc1ccc(F)cc1.
What is the InChIKey of 2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is CLQKEVRANNRCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-13(2)19-10-16(12-20-11-15-3-4-15)9-14-5-7-17(18)8-6-14/h5-8,13,15-16,19H,3-4,9-12H2,1-2H3.
What are the key properties of 2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine?
2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 106930625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).